New public QSAR model for carcinogenicity
Author(s): Fjodorova Natalja | Vračko Marjan | Novič Marjana | Roncaglioni Alessandra | Benfenati Emilio
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Fjodorova Natalja | Vračko Marjan | Novič Marjana | Roncaglioni Alessandra | Benfenati Emilio Volume: 4 Issue: Suppl 1 Year: 2010
An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts
Author(s): Ferrari Thomas | Gini Giuseppina
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Ferrari Thomas | Gini Giuseppina Volume: 4 Issue: Suppl 1 Year: 2010
Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish
Author(s): Lombardo Anna | Roncaglioni Alessandra | Boriani Elena | Milan Chiara | Benfenati Emilio
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Lombardo Anna | Roncaglioni Alessandra | Boriani Elena | Milan Chiara | Benfenati Emilio Volume: 4 Issue: Suppl 1 Year: 2010
MUVing SAFEly: Scale for Assessing Figures of Effectiveness (SAFE) in virtual screening using Maximum Unbiased Validation (MUV) datasets
Author(s): Rohrer S | Baumann K
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Rohrer S | Baumann K Volume: 3 Issue: Suppl 1 Year: 2009
New and improved features of the docking software PLANTS
Author(s): Exner TE | Korb O | ten Brink T
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Exner TE | Korb O | ten Brink T Volume: 3 Issue: Suppl 1 Year: 2009
Virtual screening for PPAR-gamma ligands using the ISOAK molecular graph kernel and gaussian processes
Author(s): Schroeter T | Rupp M | Hansen K | Müller K-R | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schroeter T | Rupp M | Hansen K | Müller K-R | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
Ligand protonation states and stereoisomers in virtual screening
Author(s): ten Brink T | Exner TE
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): ten Brink T | Exner TE Volume: 3 Issue: Suppl 1 Year: 2009
Two-step hierarchical assignments on molecular graphs
Author(s): Jahn A | Fechner N | Hinselmann G | Zell A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Jahn A | Fechner N | Hinselmann G | Zell A Volume: 3 Issue: Suppl 1 Year: 2009
Visualisation and exploitation of the chemical space covered by patents
Author(s): Tyrchan C | Muresan S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Tyrchan C | Muresan S Volume: 3 Issue: Suppl 1 Year: 2009
An extension of the pharmacophore kernel using radial atomtype fingerprints
Author(s): Hinselmann G | Eckert M | Holder T | Jahn A | Fechner N | Zell A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Hinselmann G | Eckert M | Holder T | Jahn A | Fechner N | Zell A Volume: 3 Issue: Suppl 1 Year: 2009
Assessing the selectivity of serine proteases inhibitors using structural similarity
Author(s): Fechner N | Jahn A | Hinselmann G | Zell A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Fechner N | Jahn A | Hinselmann G | Zell A Volume: 3 Issue: Suppl 1 Year: 2009
Unlocking stereochemical diversity
Author(s): Durant JL | Leland BA | Grier DL | Nourse JG
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Durant JL | Leland BA | Grier DL | Nourse JG Volume: 3 Issue: Suppl 1 Year: 2009
Graph representation of molecular datasets: applications to dataset visualization and comparison using graph indices
Author(s): Tropsha A | Fourches D
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Tropsha A | Fourches D Volume: 3 Issue: Suppl 1 Year: 2009
A novel method for predicting ligand regioselectivity to metabolism by the CYP3A4 enzyme
Author(s): Zaretzki J | Bergeron C | Bennett K | Breneman C
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Zaretzki J | Bergeron C | Bennett K | Breneman C Volume: 3 Issue: Suppl 1 Year: 2009
Calculation of molecular lipophilicity: state of the art and comparison of methods on more than 96000 compounds
Author(s): Mannhold M | Poda GI | Ostermann C | Tetko IV
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Mannhold M | Poda GI | Ostermann C | Tetko IV Volume: 3 Issue: Suppl 1 Year: 2009
A new approach to kernel based data analysis algorithms
Author(s): Mussa HY | Glen RC
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Mussa HY | Glen RC Volume: 3 Issue: Suppl 1 Year: 2009
Explorative Data Analysis: from machine learning to discovery support systems
Author(s): Berthold MR
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Berthold MR Volume: 3 Issue: Suppl 1 Year: 2009
SQUIRRELnovo: de novo design of a PPARα agonist by bioisosteric replacement
Author(s): Proschak E | Sander K | Zettl H | Tanrikulu Y | Schneider P | Rau O | Stark H | Schubert-Zsilavecz M | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Proschak E | Sander K | Zettl H | Tanrikulu Y | Schneider P | Rau O | Stark H | Schubert-Zsilavecz M | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
New open drug activity data at EBI
Author(s): Steinbeck C | Al-Lazikani B | Hermjakob H | Overington J | Thornton J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Steinbeck C | Al-Lazikani B | Hermjakob H | Overington J | Thornton J Volume: 3 Issue: Suppl 1 Year: 2009
Investigation on the reaction mechanism of ribonuclease enzymes
Author(s): Elsässer B | Valiev M | Weare J | Fels G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Elsässer B | Valiev M | Weare J | Fels G Volume: 3 Issue: Suppl 1 Year: 2009
Probing dynamic water molecules with rigid-ligand complexes
Author(s): Cappel D | Sotriffer CA
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Cappel D | Sotriffer CA Volume: 3 Issue: Suppl 1 Year: 2009
Fast and accurate method for flexible ligand superposition and shapebased screening
Author(s): Sastry M | Duan J | Sherman W | Dixon S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Sastry M | Duan J | Sherman W | Dixon S Volume: 3 Issue: Suppl 1 Year: 2009
Open access: does it address our problems?
Author(s): Bachrach SM
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Bachrach SM Volume: 3 Issue: Suppl 1 Year: 2009
The perfect fit? Balancing predictive power and computational complexity for an atomistic model as prerequisite for nano-scale simulations
Author(s): Maaß A | Müller TJ | Nikitina L | Hülsmann M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Maaß A | Müller TJ | Nikitina L | Hülsmann M Volume: 3 Issue: Suppl 1 Year: 2009
Efficient ant colony optimization algorithms for structure- and ligand-based drug design
Author(s): Korb O
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Korb O Volume: 3 Issue: Suppl 1 Year: 2009
Classification and characterization of materials – from archaeometry to comets
Author(s): Varmuza K
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Varmuza K Volume: 3 Issue: Suppl 1 Year: 2009
DrugscoreMaps visualizing similarities in protein-ligand interactions
Author(s): Koch O | Neudert G | Klebe G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Koch O | Neudert G | Klebe G Volume: 3 Issue: Suppl 1 Year: 2009
Theoretical structural metabolomics
Author(s): Apostolakis J | Tietze S | Körner R | Marialke J | Berger S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Apostolakis J | Tietze S | Körner R | Marialke J | Berger S Volume: 3 Issue: Suppl 1 Year: 2009
Quantification and visualization of structure-activity-relationships at multiple levels of detail
Author(s): Peltason L | Wawer M | Bajorath J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Peltason L | Wawer M | Bajorath J Volume: 3 Issue: Suppl 1 Year: 2009
Modeling of inclusion complexes of amylose and synthetical polymers
Author(s): Tusch M | Fels G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Tusch M | Fels G Volume: 3 Issue: Suppl 1 Year: 2009
Molecular modeling studies of lipase-catalyzed β-lactam polymerization
Author(s): Baum I | Haller LA | Schwab LW | Loos K | Fels G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Baum I | Haller LA | Schwab LW | Loos K | Fels G Volume: 3 Issue: Suppl 1 Year: 2009
Evaluation of the performance of 3D virtual screening programs: docking vs. structure-based pharmacophore
Author(s): Erlenkamp G | Heinke R | Meier R | Sippl W
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Erlenkamp G | Heinke R | Meier R | Sippl W Volume: 3 Issue: Suppl 1 Year: 2009
Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction
Author(s): Wichapong K | Pianwanit S | Kokpol S | Sippl W
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Wichapong K | Pianwanit S | Kokpol S | Sippl W Volume: 3 Issue: Suppl 1 Year: 2009
From fast light-activated processes in biomolecules to large-scale aggregation of membrane proteins: molecular dynamics simulations at different time and length scales
Author(s): Schäfer LV | Boggio-Pasqua M | Groenhof G | Grubmüller H | Marrink SJ | Robb MA
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schäfer LV | Boggio-Pasqua M | Groenhof G | Grubmüller H | Marrink SJ | Robb MA Volume: 3 Issue: Suppl 1 Year: 2009
Multi-scale modelling of macromolecular conformational changes
Author(s): Ahmed A | Koller A | Gohlke H
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Ahmed A | Koller A | Gohlke H Volume: 3 Issue: Suppl 1 Year: 2009
Protein structure calculation with a max-min ant system
Author(s): Gimmler J | Gronwald W | Möller H | Exner TE
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Gimmler J | Gronwald W | Möller H | Exner TE Volume: 3 Issue: Suppl 1 Year: 2009
How do proteins associate? A lesson from SH3 domain
Author(s): Ahmad M | Helms V
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Ahmad M | Helms V Volume: 3 Issue: Suppl 1 Year: 2009
Combined quantum mechanical and molecular mechanical methods to study chemical events in complex biological environments
Author(s): Elstner M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Elstner M Volume: 3 Issue: Suppl 1 Year: 2009
Dynamic pharmacophores of the 5-HT1B receptor
Author(s): Glen RC | Bell J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Glen RC | Bell J Volume: 3 Issue: Suppl 1 Year: 2009
Detection, analysis, and visualization of relevant scaffolds in medicinal chemistry project databases
Author(s): Clark AM
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Clark AM Volume: 3 Issue: Suppl 1 Year: 2009
Seamless integration of the PubChem database into an universal scriptable chemical information processing environment
Author(s): Ihlenfeldt W-D
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Ihlenfeldt W-D Volume: 3 Issue: Suppl 1 Year: 2009
Crystal structures of moderately complex organic molecules are predictable
Author(s): Streek J | Neumann MA
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Streek J | Neumann MA Volume: 3 Issue: Suppl 1 Year: 2009
Incorporating molecular flexibility into three-dimensional structural kernels
Author(s): Jahn A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Jahn A Volume: 3 Issue: Suppl 1 Year: 2009
Predicting interactions between small molecules and RNA
Author(s): Tietze S | Apostolakis J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Tietze S | Apostolakis J Volume: 3 Issue: Suppl 1 Year: 2009
Similarity-based virtual screening using bayesian inference network
Author(s): Abdo A | Salim N
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Abdo A | Salim N Volume: 3 Issue: Suppl 1 Year: 2009
Personalised information spaces for chemical digital libraries
Author(s): Koepler O | Balke W-T | Köhncke B | Tönnies S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Koepler O | Balke W-T | Köhncke B | Tönnies S Volume: 3 Issue: Suppl 1 Year: 2009
Chemical complexity mapping in QSAR models
Author(s): Thalheim T | Ebert R-U | Kühne R | Schüürmann G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Thalheim T | Ebert R-U | Kühne R | Schüürmann G Volume: 3 Issue: Suppl 1 Year: 2009
Analysis of structure-selectivity relationships through single- or dual step selectivity searching using 2D molecular fingerprints
Author(s): Stumpfe D | Geppert H | Bajorath J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Stumpfe D | Geppert H | Bajorath J Volume: 3 Issue: Suppl 1 Year: 2009
Implication of heteroatom tautomer in QSAR models
Author(s): Thalheim T | Vollmer A | Ebert R-U | Kühne R | Schüürmann G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Thalheim T | Vollmer A | Ebert R-U | Kühne R | Schüürmann G Volume: 3 Issue: Suppl 1 Year: 2009
Molecular descriptors based on entropy and the full topological neighborhood of all atoms
Author(s): Varmuza K | Dehmer M | Borgert S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Varmuza K | Dehmer M | Borgert S Volume: 3 Issue: Suppl 1 Year: 2009
Comparison of some linear regression methods – available in R – for a QSPR problem
Author(s): Varmuza K | Filzmoser P
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Varmuza K | Filzmoser P Volume: 3 Issue: Suppl 1 Year: 2009
A virtual file system for the PubChem chemical structure and bioassay database
Author(s): Ihlenfeldt Wolf-D
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Ihlenfeldt Wolf-D Volume: 2 Issue: Suppl 1 Year: 2008
Comparing Natural Product (NP) and non-NP datasets at an atomic scale
Author(s): Heintz Tobias | Brandt Wolfgang | Weber Lutz | Wessjohann LA
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Heintz Tobias | Brandt Wolfgang | Weber Lutz | Wessjohann LA Volume: 2 Issue: Suppl 1 Year: 2008
A rule-based method for comprehensive risk assessment of the mutagenic potential of drugs
Author(s): Arnby Catrin Hasselgren | Carlsson L | Gavaghan C | Boyer S
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Arnby Catrin Hasselgren | Carlsson L | Gavaghan C | Boyer S Volume: 2 Issue: Suppl 1 Year: 2008
In silico prediction of aqueous solubility – classification models
Author(s): Kramer C | Beck B | Clark T
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Kramer C | Beck B | Clark T Volume: 2 Issue: Suppl 1 Year: 2008
Workflow-based identification of bioisosteric replacements for molecular scaffolds
Author(s): Höhfeld Kerstin | Teckentrup Andreas | Clark Timothy
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Höhfeld Kerstin | Teckentrup Andreas | Clark Timothy Volume: 2 Issue: Suppl 1 Year: 2008
Secbase - secondary structure elements and ligand binding
Author(s): Koch O | Cole J | Klebe G
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Koch O | Cole J | Klebe G Volume: 2 Issue: Suppl 1 Year: 2008
Parametrization of the molecular free energy surface density (MolFESD) for different solvents and brain-blood barrier partitioning
Author(s): Zerara Mohamed | Kretschmer R | Exner Thomas | Brickmann J
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Zerara Mohamed | Kretschmer R | Exner Thomas | Brickmann J Volume: 2 Issue: Suppl 1 Year: 2008
Estimating the applicability domain of kernel based QSPR models using classical descriptor vectors
Author(s): Fechner NH | Hinselmann G | Schmiedl C | Zell Andreas
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Fechner NH | Hinselmann G | Schmiedl C | Zell Andreas Volume: 2 Issue: Suppl 1 Year: 2008
Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score
Author(s): Zaliani A | Mueller C | Rarey M
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Zaliani A | Mueller C | Rarey M Volume: 2 Issue: Suppl 1 Year: 2008
Computer-aided predictions of potential antineoplastic agents
Author(s): Zakharov Alexey | Lagunin A | Filimonov D | Poroikov V
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Zakharov Alexey | Lagunin A | Filimonov D | Poroikov V Volume: 2 Issue: Suppl 1 Year: 2008
QSAR modelling of acute toxicity in the fathead minnow
Author(s): Zakharov Alexey | Lagunin A | Filimonov D | Poroikov V
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Zakharov Alexey | Lagunin A | Filimonov D | Poroikov V Volume: 2 Issue: Suppl 1 Year: 2008
The use of quantum chemistry in the prediction of ADME-Tox properties
Author(s): Van Damme S | Bultinck P
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Van Damme S | Bultinck P Volume: 2 Issue: Suppl 1 Year: 2008
MFD-simulation of surface coatings – an extension to solid/fluid molecular modelling models
Author(s): Richter Daniel | Kuhn H | Engels C
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Richter Daniel | Kuhn H | Engels C Volume: 2 Issue: Suppl 1 Year: 2008
A computational protocol to fragment-based drug design at PDB scale
Author(s): Moriaud F | Henry T | Adcock SA | Vorotynsev AM | Martin L | Doppelt O | De Brevern AG | Delfaud F
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Moriaud F | Henry T | Adcock SA | Vorotynsev AM | Martin L | Doppelt O | De Brevern AG | Delfaud F Volume: 2 Issue: Suppl 1 Year: 2008
Side effect profile prediction - early addressing of big pharma's worst nightmare
Author(s): Scheiber J | Jenkins JL | Bender A | Whitebread S | Hamon J | Urban L | Azzaoui K | Glick M | Davies JW
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Scheiber J | Jenkins JL | Bender A | Whitebread S | Hamon J | Urban L | Azzaoui K | Glick M | Davies JW Volume: 2 Issue: Suppl 1 Year: 2008
Natural product-likeness score and its applications in the drug discovery process
Author(s): Ertl Peter | Roggo S | Schuffenhauer A
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Ertl Peter | Roggo S | Schuffenhauer A Volume: 2 Issue: Suppl 1 Year: 2008
Development of new in silico methods to identify ligands for orphan GPCR
Author(s): Weill Nathanael | Rognan Didier
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Weill Nathanael | Rognan Didier Volume: 2 Issue: Suppl 1 Year: 2008
DrugScoreFP: profiling protein-ligand interactions using fingerprint simplicity paired with knowledge-based potential fields
Author(s): Pfeffer Patrick | Neudert Gerd | Klebe Gerhard
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Pfeffer Patrick | Neudert Gerd | Klebe Gerhard Volume: 2 Issue: Suppl 1 Year: 2008
Protein structure-based drug design: applications, limitations and future developments
Author(s): Hillisch Alexander
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Hillisch Alexander Volume: 2 Issue: Suppl 1 Year: 2008
Coarse-grained molecular models for high-throughput and multi-scale functional investigations
Author(s): Hamacher Kay
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Hamacher Kay Volume: 2 Issue: Suppl 1 Year: 2008
Assignment of protonation states and geometries to macromolecular structures using Unary Quadratic Optimization
Author(s): Labute Paul
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Labute Paul Volume: 2 Issue: Suppl 1 Year: 2008
Molecular field topology analysis and structure generation
Author(s): Palyulin VA | Radchenko EV | Melnikov AA | Zefirov NS
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Palyulin VA | Radchenko EV | Melnikov AA | Zefirov NS Volume: 2 Issue: Suppl 1 Year: 2008
Multi-objective de novo drug design using evolutionary graphs
Author(s): Nicolaou Christos | Pattichis CS
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Nicolaou Christos | Pattichis CS Volume: 2 Issue: Suppl 1 Year: 2008
A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation
Author(s): Meier Rene | Brandt Frank | Pisabarro Teresa | Baldauf Carsten | Sippl Wolfgang
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Meier Rene | Brandt Frank | Pisabarro Teresa | Baldauf Carsten | Sippl Wolfgang Volume: 2 Issue: Suppl 1 Year: 2008
Global QSAR models of skin sensitisers for regulatory purposes
Author(s): Chaudhry Qasim | Piclin Nadège | Cotterill Jane | Pintore Marco | Price Nick | Chrétien Jacques | Roncaglioni Alessandra
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Chaudhry Qasim | Piclin Nadège | Cotterill Jane | Pintore Marco | Price Nick | Chrétien Jacques | Roncaglioni Alessandra Volume: 4 Issue: Suppl 1 Year: 2010
CAESAR models for developmental toxicity
Author(s): Cassano Antonio | Manganaro Alberto | Martin Todd | Young Douglas | Piclin Nadège | Pintore Marco | Bigoni Davide | Benfenati Emilio
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Cassano Antonio | Manganaro Alberto | Martin Todd | Young Douglas | Piclin Nadège | Pintore Marco | Bigoni Davide | Benfenati Emilio Volume: 4 Issue: Suppl 1 Year: 2010
The CAESAR project for in silico models for the REACH legislation
Author(s): Benfenati Emilio
Volume: 4
Issue: Suppl 1
Year: 2010
Author(s): Benfenati Emilio Volume: 4 Issue: Suppl 1 Year: 2010
4th German Conference on Chemoinformatics: 22. CIC-Workshop. November 9–11, 2008, Goslar, Germany
Author(s): Oellien Frank
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Oellien Frank Volume: 3 Issue: Suppl 1 Year: 2009
Dissecting the mechanism of adenosine kinase inhibition: new insights for drug designing
Author(s): Bhutoria S | Ghoshal N
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Bhutoria S | Ghoshal N Volume: 3 Issue: Suppl 1 Year: 2009
A theoretical investigation of microhydration of cationic amino acids
Author(s): Michaux C | Wouters J | Jacquemin D | Perpète EA
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Michaux C | Wouters J | Jacquemin D | Perpète EA Volume: 3 Issue: Suppl 1 Year: 2009
Complexity effects in fingerprint similarity searching
Author(s): Wang Y | Geppert H | Bajorath J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Wang Y | Geppert H | Bajorath J Volume: 3 Issue: Suppl 1 Year: 2009
Designing binding pockets on protein surfaces using the A* algorithm
Author(s): Eyrisch S | Helms V
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Eyrisch S | Helms V Volume: 3 Issue: Suppl 1 Year: 2009
Computation of accurate redox potentials for Fe, Mn and Ni model complexes
Author(s): Galstyan A | Knapp EW
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Galstyan A | Knapp EW Volume: 3 Issue: Suppl 1 Year: 2009
A distance-based method for evaluating protein-structures
Author(s): Heym P-P | Brandt W | Wessjohann L
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Heym P-P | Brandt W | Wessjohann L Volume: 3 Issue: Suppl 1 Year: 2009
Glide XP fragment docking and structurebased pharmacophores
Author(s): Sherman W | Friesner R
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Sherman W | Friesner R Volume: 3 Issue: Suppl 1 Year: 2009
Crystallographic and theoretical investigation of interactions of water molecule with aryl ring
Author(s): Zarić SD | Janjić GV | Ostojić BD
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Zarić SD | Janjić GV | Ostojić BD Volume: 3 Issue: Suppl 1 Year: 2009
Creating chemo- and bioinformatics workflows, further developments within the CDK-Taverna Project
Author(s): Kuhn T | Zielesny A | Steinbeck C
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Kuhn T | Zielesny A | Steinbeck C Volume: 3 Issue: Suppl 1 Year: 2009
Chemoinformatics of ionic liquids and solids
Author(s): Drefahl A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Drefahl A Volume: 3 Issue: Suppl 1 Year: 2009
Reliability analysis of functional CNT
Author(s): Shivhare S | Joshi S | Ahmed S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Shivhare S | Joshi S | Ahmed S Volume: 3 Issue: Suppl 1 Year: 2009
Atomistic modelling of ion aggregation from solution and the self-organization of nanocrystals and nanocomposite biomaterials
Author(s): Kawska A | Duchstein P | Hochrein O | Zahn D
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Kawska A | Duchstein P | Hochrein O | Zahn D Volume: 3 Issue: Suppl 1 Year: 2009
MolWind – mapping molecule spaces to geospatial worlds
Author(s): Herhaus C | Karch O | Bremm S | Rippmann F
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Herhaus C | Karch O | Bremm S | Rippmann F Volume: 3 Issue: Suppl 1 Year: 2009
A benchmark data set for in silico prediction of ames mutagenicity
Author(s): Hansen K | Mika S | Schroeter T | Sutter A | Ter Laak A | Steger-Hartmann T | Heinrich N | Müller K-R
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Hansen K | Mika S | Schroeter T | Sutter A | Ter Laak A | Steger-Hartmann T | Heinrich N | Müller K-R Volume: 3 Issue: Suppl 1 Year: 2009
Data integration and knowledge transfer: application to the tissue: air partition coefficients
Author(s): Gaudin C | Marcou G | Vayer P | Tetko I | Baskin I | Varnek A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Gaudin C | Marcou G | Vayer P | Tetko I | Baskin I | Varnek A Volume: 3 Issue: Suppl 1 Year: 2009
Assessment of complex SARs using Formal Concept Analysis of fragment combinations
Author(s): Lounkine E | Auer J | Bajorath J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Lounkine E | Auer J | Bajorath J Volume: 3 Issue: Suppl 1 Year: 2009
EAI-TupletScore, a pharmacophore and shape driven ligand-based de-novo design algorithm
Author(s): Smith KM | Masek BB | Clark RD | Mansley T | Abrahamian E | Nagy S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Smith KM | Masek BB | Clark RD | Mansley T | Abrahamian E | Nagy S Volume: 3 Issue: Suppl 1 Year: 2009
Distance phenomena in high-dimensional chemical descriptor spaces: consequences for similarity-based approaches
Author(s): Rupp M | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Rupp M | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
Sublinear ligand-based virtual screening using bitmap indices
Author(s): Schärfer C | Schlosser J | Rarey M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schärfer C | Schlosser J | Rarey M Volume: 3 Issue: Suppl 1 Year: 2009
Optimization and centralization of working processes in computational chemistry
Author(s): Haase S | Entzian A | Bögel H
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Haase S | Entzian A | Bögel H Volume: 3 Issue: Suppl 1 Year: 2009
Additive inductive learning in QSAR/QSPR studies and molecular modeling
Author(s): Baskin II | Zhokhova NI | Palyulin VA | Zefirov NS
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Baskin II | Zhokhova NI | Palyulin VA | Zefirov NS Volume: 3 Issue: Suppl 1 Year: 2009
From screening to searching: an index-driven approach to structure-based lead identification
Author(s): Schlosser J | Rarey M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schlosser J | Rarey M Volume: 3 Issue: Suppl 1 Year: 2009
Modelling the multi-target selectivity: o-phosphorylated oximes as serine hydrolase inhibitors
Author(s): Palyulin VA | Radchenko EV | Baskin II | Makhaeva GF | Zefirov NS
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Palyulin VA | Radchenko EV | Baskin II | Makhaeva GF | Zefirov NS Volume: 3 Issue: Suppl 1 Year: 2009
Knowledge-driven multi-objective de novo drug design
Author(s): Nicolaou CA | Kannas C | Pattichis CS
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Nicolaou CA | Kannas C | Pattichis CS Volume: 3 Issue: Suppl 1 Year: 2009
XFb – a combined approach for 2D ring drawing
Author(s): Stierand K | Rarey M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Stierand K | Rarey M Volume: 3 Issue: Suppl 1 Year: 2009
Analyzing molecular landscapes using random walks and information theory
Author(s): Emmerich M | Li BVY | Bender A | Faddiev E | Kruisselbrink J | Deutz AH | Horst E | IJzerman A | Bäck Th
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Emmerich M | Li BVY | Bender A | Faddiev E | Kruisselbrink J | Deutz AH | Horst E | IJzerman A | Bäck Th Volume: 3 Issue: Suppl 1 Year: 2009
Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds
Author(s): Axerio-Cilies P | Castañeda IP | Mirza A | Reynisson J
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Axerio-Cilies P | Castañeda IP | Mirza A | Reynisson J Volume: 3 Issue: Suppl 1 Year: 2009
Distance-dependent: characterizing virtual screening datasets
Author(s): Anthes C | Rohrer SG | Baumann K
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Anthes C | Rohrer SG | Baumann K Volume: 3 Issue: Suppl 1 Year: 2009
Incorporating QSPR in the enumeration of fragment space
Author(s): Pärn J | Rarey M
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Pärn J | Rarey M Volume: 3 Issue: Suppl 1 Year: 2009
Web-based computational chemistry
Author(s): Entzian A | Haase S | Bögel H
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Entzian A | Haase S | Bögel H Volume: 3 Issue: Suppl 1 Year: 2009
Tools for prediction of xenobiotics interaction with human cytochrome P450
Author(s): Dmitriev A | Filimonov D | Lagunin A | Poroikov V
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Dmitriev A | Filimonov D | Lagunin A | Poroikov V Volume: 3 Issue: Suppl 1 Year: 2009
Classification of ATP binding sites using sequence-based fingerprints and molecular interaction fields
Author(s): Dreher J | Baumann K
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Dreher J | Baumann K Volume: 3 Issue: Suppl 1 Year: 2009
Selectivity of new caspase 3 and 8 tetrapeptide substrates can be explained by automated docking analysis
Author(s): Schulz R | Reszka P | Bednarski PJ
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schulz R | Reszka P | Bednarski PJ Volume: 3 Issue: Suppl 1 Year: 2009
Modelling of complex multicellular systems: tumour-immune cells competition
Author(s): Torrens F | Castellano G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Torrens F | Castellano G Volume: 3 Issue: Suppl 1 Year: 2009
Pseudoreceptor-based pocket selection in a molecular dynamics simulation of the histamine H4 receptor
Author(s): Werner T | Geppert T | Tanrikulu Y | Proschak E | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Werner T | Geppert T | Tanrikulu Y | Proschak E | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
Optimization of in silico generated ligand geometries within a binding pocket using drugscore potentials
Author(s): Spitzmüller A | Klebe G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Spitzmüller A | Klebe G Volume: 3 Issue: Suppl 1 Year: 2009
CELLmicrocosmos 2.1: a software approach for the modelling of three-dimensional PDB membranes
Author(s): Sommer B | Dingersen T | Schneider S
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Sommer B | Dingersen T | Schneider S Volume: 3 Issue: Suppl 1 Year: 2009
Online chemical modeling environment
Author(s): Novotarskyi S | Sushko I | Tetko I
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Novotarskyi S | Sushko I | Tetko I Volume: 3 Issue: Suppl 1 Year: 2009
An online-system for the evaluation of hazardous substances
Author(s): Schmidt C | Vill V
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schmidt C | Vill V Volume: 3 Issue: Suppl 1 Year: 2009
A detailed aanalysis of diphosphate binding sites in proteins
Author(s): Schulze D | Brandt W | Wessjohann LA
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Schulze D | Brandt W | Wessjohann LA Volume: 3 Issue: Suppl 1 Year: 2009
Frequent substructure mining of GPCR ligands
Author(s): Horst E | Bender A | IJzerman AP
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Horst E | Bender A | IJzerman AP Volume: 3 Issue: Suppl 1 Year: 2009
Virtual chemical reactions for drug design
Author(s): Reisen F | Hartenfeller M | Proschak E | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Reisen F | Hartenfeller M | Proschak E | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
PhAST: pharmacophore alignment search tool
Author(s): Hähnke V | Hofmann B | Proschak E | Steinhilber D | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Hähnke V | Hofmann B | Proschak E | Steinhilber D | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
PocketGraph: graph representation of binding site volumes
Author(s): Weisel M | Kriegl J | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Weisel M | Kriegl J | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
Identification of Plk1 type II inhibitors by structure-based virtual screening
Author(s): Keppner S | Proschak E | Schneider G | Spänkuch B
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Keppner S | Proschak E | Schneider G | Spänkuch B Volume: 3 Issue: Suppl 1 Year: 2009
Validation of predicitve modelling techniques in drug design – influence of test set composition
Author(s): Matz M | Rohrer S | Baumann K
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Matz M | Rohrer S | Baumann K Volume: 3 Issue: Suppl 1 Year: 2009
Fuzzy virtual ligands for virtual screening
Author(s): Löwer M | Tanrikulu Y | Weisel M | Schneider G
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Löwer M | Tanrikulu Y | Weisel M | Schneider G Volume: 3 Issue: Suppl 1 Year: 2009
Emerging trends of nanomanufacturing by CVD method and electrical properties of CNT
Author(s): Shivhare S | Shukla A
Volume: 3
Issue: Suppl 1
Year: 2009
Author(s): Shivhare S | Shukla A Volume: 3 Issue: Suppl 1 Year: 2009
COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
Author(s): Thormann M | Klamt A | Wichmann K | Wittekindt C | Almstetter M
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Thormann M | Klamt A | Wichmann K | Wittekindt C | Almstetter M Volume: 2 Issue: Suppl 1 Year: 2008
Comparison of applicability domains of QSAR models: application to the modelling of the environmental toxicity against Tetrahymena pyriformis
Author(s): Tetko Igor | Tropsha Alexander | Zhu H | Papa E | Gramatica P | Öberg T | Fourches D | Varnek A
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Tetko Igor | Tropsha Alexander | Zhu H | Papa E | Gramatica P | Öberg T | Fourches D | Varnek A Volume: 2 Issue: Suppl 1 Year: 2008
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods
Author(s): Tetko Igor | Jaroszewicz I | Platts J | Kuduk-Jaworska J
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Tetko Igor | Jaroszewicz I | Platts J | Kuduk-Jaworska J Volume: 2 Issue: Suppl 1 Year: 2008
The influence of protonation in protein-ligand docking
Author(s): Brink ten | Exner TE
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Brink ten | Exner TE Volume: 2 Issue: Suppl 1 Year: 2008
Tautomerism in structure-based 3D pharmacophore modeling
Author(s): Seidel Thomas | Wolber G | Langer T
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Seidel Thomas | Wolber G | Langer T Volume: 2 Issue: Suppl 1 Year: 2008
Molecular similarity for machine learning in drug development
Author(s): Rupp M | Proschak E | Schneider G
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Rupp M | Proschak E | Schneider G Volume: 2 Issue: Suppl 1 Year: 2008
Exploring benchmark dataset bias in ligand based virtual screening
Author(s): Baumann Knut | Rohrer SG
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Baumann Knut | Rohrer SG Volume: 2 Issue: Suppl 1 Year: 2008
An overview of large chemical structure databases
Author(s): Heller Stephen
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Heller Stephen Volume: 2 Issue: Suppl 1 Year: 2008
Modeling of nanomaterials: recent applications and new tools development
Author(s): Goldbeck-Wood G
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Goldbeck-Wood G Volume: 2 Issue: Suppl 1 Year: 2008
Is learning drugs the same as learning non-drugs?
Author(s): Brown Robert | Rogers D
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Brown Robert | Rogers D Volume: 2 Issue: Suppl 1 Year: 2008
Beyond descriptor vectors: QSAR modelling using structural similarity
Author(s): Zell Andreas | Hinselmann G | Fechner NH | Jahn A
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Zell Andreas | Hinselmann G | Fechner NH | Jahn A Volume: 2 Issue: Suppl 1 Year: 2008
Black Swans and white tablets
Author(s): Oprea Tudor | Hopkins Andrew
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Oprea Tudor | Hopkins Andrew Volume: 2 Issue: Suppl 1 Year: 2008
Breaking the language barrier: chemical nomenclature around the globe
Author(s): Sayle R
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Sayle R Volume: 2 Issue: Suppl 1 Year: 2008
Using chemical structure in open-source chemical text mining
Author(s): Corbett PT | Murray-Rust P
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Corbett PT | Murray-Rust P Volume: 2 Issue: Suppl 1 Year: 2008
Foundations of molecular similarity analysis
Author(s): Bajorath Jürgen
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Bajorath Jürgen Volume: 2 Issue: Suppl 1 Year: 2008
On some aspects of validation of predictive QSAR models
Author(s): Roy K | Roy PP | Leonard JT
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Roy K | Roy PP | Leonard JT Volume: 2 Issue: Suppl 1 Year: 2008
Multi-body interactions in molecular docking: treatment of water molecules and multiple ligands
Author(s): Korb Oliver | Stützle T | Exner TE
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Korb Oliver | Stützle T | Exner TE Volume: 2 Issue: Suppl 1 Year: 2008
Efficient 3D pharmacophore alignment as a tool for structure-based modeling and scoring
Author(s): Wolber Gerhard
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Wolber Gerhard Volume: 2 Issue: Suppl 1 Year: 2008
BIOS: Similarity-based design of natural product derived compound collections
Author(s): Wetzel S | Renner S | Nören-Müller A | Schuffenhauer A | Ertl P | Waldmann Herbert
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Wetzel S | Renner S | Nören-Müller A | Schuffenhauer A | Ertl P | Waldmann Herbert Volume: 2 Issue: Suppl 1 Year: 2008
Latest developments and applications of double-hybrid density functionals
Author(s): Schwabe Tobias | Neese Frank | Grimme Stefan
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Schwabe Tobias | Neese Frank | Grimme Stefan Volume: 2 Issue: Suppl 1 Year: 2008
THERESA - a new reaction database-driven tool for stepwise retrosynthetic analysis
Author(s): Schwab Christof | Bienfait B | Gasteiger J
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Schwab Christof | Bienfait B | Gasteiger J Volume: 2 Issue: Suppl 1 Year: 2008
A new method in docking for rotatable OH bonds of amino acids in active sites
Author(s): Rumpl Angela | Claußen Holger | Detering Carsten
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Rumpl Angela | Claußen Holger | Detering Carsten Volume: 2 Issue: Suppl 1 Year: 2008
Information theory based scoring function for predicting protein-ligand binding affinity
Author(s): Kulharia Mahesh
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Kulharia Mahesh Volume: 2 Issue: Suppl 1 Year: 2008
Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)
Author(s): Himmler Hans-Jürgen | Kos Alexander
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Himmler Hans-Jürgen | Kos Alexander Volume: 2 Issue: Suppl 1 Year: 2008
Finding new potential acetylcholine esterase Inhibitors in SDFiles using CWM Lead Finder and PASS (Prediction of Activity Spectra for Substances)
Author(s): Himmler Hans-Jürgen | Kos Alexander
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Himmler Hans-Jürgen | Kos Alexander Volume: 2 Issue: Suppl 1 Year: 2008
Further adventures in shape space
Author(s): Hawkins Paul | Skillman AG | Nicholls A
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Hawkins Paul | Skillman AG | Nicholls A Volume: 2 Issue: Suppl 1 Year: 2008
SOMA2 – open source framework for molecular modelling workflows
Author(s): Kinnunen Tapani | Nyrönen TH | Lehtovuori P
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Kinnunen Tapani | Nyrönen TH | Lehtovuori P Volume: 2 Issue: Suppl 1 Year: 2008
On the generation of intrinsic electric dipole fields as the basis for the understanding of the morphogenesis of fluoroapatite-gelatine nano-composites
Author(s): Paparcone Raffaella | Riemann N | Zerara M | Brickman J | Zahn D | Simon P | Kniep R
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Paparcone Raffaella | Riemann N | Zerara M | Brickman J | Zahn D | Simon P | Kniep R Volume: 2 Issue: Suppl 1 Year: 2008
Light emitting nanofibers from functionalised para-quaterphenylenes: theory, synthesis and application
Author(s): Koch Rainer | Schiek Manuela | Al-Shamery Katharina | Lützen Arne | Balzer Frank | Rubahn Horst-Günther
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Koch Rainer | Schiek Manuela | Al-Shamery Katharina | Lützen Arne | Balzer Frank | Rubahn Horst-Günther Volume: 2 Issue: Suppl 1 Year: 2008
Application of molecular modelling in heterogeneous catalysis research
Author(s): Kacer P | Kuzma M | Karhanek D | Svrcek J | Cerveny L
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Kacer P | Kuzma M | Karhanek D | Svrcek J | Cerveny L Volume: 2 Issue: Suppl 1 Year: 2008
Adrenoceptors: ligand-activated molecular dynamics
Author(s): Matijssen B | Watson G | Rozas I
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Matijssen B | Watson G | Rozas I Volume: 2 Issue: Suppl 1 Year: 2008
Fast access to total energies
Author(s): Klein R | Brandt Wolfgang
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Klein R | Brandt Wolfgang Volume: 2 Issue: Suppl 1 Year: 2008
How transient pockets open on the surface of the MDM2 protein
Author(s): Eyrisch Susanne | Helms V
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Eyrisch Susanne | Helms V Volume: 2 Issue: Suppl 1 Year: 2008
Simulation of tetraetherlipids on solid surfaces – an extension of the DPD-model
Author(s): Engels Christoph | Kuhn H | Richter D
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Engels Christoph | Kuhn H | Richter D Volume: 2 Issue: Suppl 1 Year: 2008
Rapid discovery of new leads for difficult targets: application to CCK2 and 11beta-HSD1
Author(s): Cheeseright T | Mackey M | Rose S | Vinter A
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Cheeseright T | Mackey M | Rose S | Vinter A Volume: 2 Issue: Suppl 1 Year: 2008
A theoretical investigation on the geometries of glucagon-like peptide-1 and its interactions with dipeptidyl peptidase DPP-IV
Author(s): Brickmann Jürgen | Riemann RN | Immel S | Wallrapp C
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Brickmann Jürgen | Riemann RN | Immel S | Wallrapp C Volume: 2 Issue: Suppl 1 Year: 2008
Modeling of substrates sorption into acetylcholinesterase and butyrylcholinesterase active sites using molecular docking method
Author(s): Belinskaya Daria | Shestakova Natalia | André Juffer
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Belinskaya Daria | Shestakova Natalia | André Juffer Volume: 2 Issue: Suppl 1 Year: 2008
Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints
Author(s): Horvath D
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Horvath D Volume: 2 Issue: Suppl 1 Year: 2008
Foreign language examples in chemical nomenclature
Author(s): Sayle Roger
Volume: 2
Issue: Suppl 1
Year: 2008
Author(s): Sayle Roger Volume: 2 Issue: Suppl 1 Year: 2008
Simple isatin derivatives as free radical scavengers: Synthesis, biological evaluation and structure-activity relationship
Author(s): Chen Gang | Wang Ye | Hao Xiaojiang | Mu Shuzhen | Sun Qianyun
Volume: 5
Issue: 1
Year: 2011
Author(s): Chen Gang | Wang Ye | Hao Xiaojiang | Mu Shuzhen | Sun Qianyun Volume: 5 Issue: 1 Year: 2011
Cyclic Tetrapyrrolic Photosensitisers from the leaves of Phaeanthus ophthalmicus
Author(s): Tan Pei | Ong Cheng | Danial Asma | Yusof Hirzun | Neoh Bee | Lee Hong
Volume: 5
Issue: 1
Year: 2011
Author(s): Tan Pei | Ong Cheng | Danial Asma | Yusof Hirzun | Neoh Bee | Lee Hong Volume: 5 Issue: 1 Year: 2011
Generation of polyclonal antibody with high avidity to rosuvastatin and its use in development of highly sensitive ELISA for determination of rosuvastatin in plasma
Author(s): Darwish Ibrahim | Al-Obaid Abdul-Rahman | Al-Malaq Hamoud
Volume: 5
Issue: 1
Year: 2011
Author(s): Darwish Ibrahim | Al-Obaid Abdul-Rahman | Al-Malaq Hamoud Volume: 5 Issue: 1 Year: 2011
Amorphous calcium phosphate and its application in dentistry
Author(s): Zhao Jie | Liu Yu | Sun Wei-bin | Zhang Hai
Volume: 5
Issue: 1
Year: 2011
Author(s): Zhao Jie | Liu Yu | Sun Wei-bin | Zhang Hai Volume: 5 Issue: 1 Year: 2011
Utility of certain nucleophilic aromatic substitution reactions for the assay of pregabalin in capsules
Author(s): Walash Mohamed | Belal Fathallah | El-Enany Nahed | El-Maghrabey Mahmoud
Volume: 5
Issue: 1
Year: 2011
Author(s): Walash Mohamed | Belal Fathallah | El-Enany Nahed | El-Maghrabey Mahmoud Volume: 5 Issue: 1 Year: 2011
Photoproduction of iodine with nanoparticulate semiconductors and insulators
Author(s): Karunakaran Chockalingam | Anilkumar Premkumar | Gomathisankar Paramasivan
Volume: 5
Issue: 1
Year: 2011
Author(s): Karunakaran Chockalingam | Anilkumar Premkumar | Gomathisankar Paramasivan Volume: 5 Issue: 1 Year: 2011
Residual-QSAR. Implications for genotoxic carcinogenesis
Author(s): Putz Mihai
Volume: 5
Issue: 1
Year: 2011
Author(s): Putz Mihai Volume: 5 Issue: 1 Year: 2011
Chemical analysis of Greek pollen - Antioxidant, antimicrobial and proteasome activation properties
Author(s): Graikou Konstantia | Kapeta Suzanne | Aligiannis Nektarios | Sotiroudis George | Chondrogianni Niki | Gonos Efstathios | Chinou Ioanna
Volume: 5
Issue: 1
Year: 2011
Author(s): Graikou Konstantia | Kapeta Suzanne | Aligiannis Nektarios | Sotiroudis George | Chondrogianni Niki | Gonos Efstathios | Chinou Ioanna Volume: 5 Issue: 1 Year: 2011
A validated stability-indicating HPLC method for determination of varenicline in its bulk and tablets
Author(s): Kadi Adnan | Mohamed Mostafa | Kassem Mohamed | Darwish Ibrahim
Volume: 5
Issue: 1
Year: 2011
Author(s): Kadi Adnan | Mohamed Mostafa | Kassem Mohamed | Darwish Ibrahim Volume: 5 Issue: 1 Year: 2011
Sequential injection chromatography with a miniaturized multi-channel fiber optic detector for separation and quantification of propranolol and hydrochlorothiazide
Author(s): Idris Abubakr | Elgorashe Rafea
Volume: 5
Issue: 1
Year: 2011
Author(s): Idris Abubakr | Elgorashe Rafea Volume: 5 Issue: 1 Year: 2011
Antioxidant activity relationship of phenolic compounds in Hypericum perforatum L.
Author(s): Orčić Dejan | Mimica-Dukić Neda | Francišković Marina | Petrović Slobodan | Jovin Emilija
Volume: 5
Issue: 1
Year: 2011
Author(s): Orčić Dejan | Mimica-Dukić Neda | Francišković Marina | Petrović Slobodan | Jovin Emilija Volume: 5 Issue: 1 Year: 2011
Biotransformation of myrcene by Pseudomonas aeruginosa
Author(s): Esmaeili Akbar | Hashemi Elham
Volume: 5
Issue: 1
Year: 2011
Author(s): Esmaeili Akbar | Hashemi Elham Volume: 5 Issue: 1 Year: 2011
Analytical methods applied to diverse types of Brazilian propolis
Author(s): Sawaya Alexandra | Barbosa da Silva Cunha Ildenize | Marcucci Maria
Volume: 5
Issue: 1
Year: 2011
Author(s): Sawaya Alexandra | Barbosa da Silva Cunha Ildenize | Marcucci Maria Volume: 5 Issue: 1 Year: 2011
Inorganic base-catalyzed formation of antivirally active N-substituted benzamides from α-amido sulfones and N-nucleophile
Author(s): Jin Yi | Song Baoan | Hu Deyu | Li Xiangyang | Bhadury Pinaki | Wang Zhenchao | Yang Song
Volume: 5
Issue: 1
Year: 2011
Author(s): Jin Yi | Song Baoan | Hu Deyu | Li Xiangyang | Bhadury Pinaki | Wang Zhenchao | Yang Song Volume: 5 Issue: 1 Year: 2011
On the curvature in logarithmic plots of rate coefficients for chemical reactions
Author(s): Canepa Carlo
Volume: 5
Issue: 1
Year: 2011
Author(s): Canepa Carlo Volume: 5 Issue: 1 Year: 2011
Development of a novel DDS for site-specific PEGylated proteins
Author(s): Yoshioka Yasuo | Tsunoda Shin-ichi | Tsutsumi Yasuo
Volume: 5
Issue: 1
Year: 2011
Author(s): Yoshioka Yasuo | Tsunoda Shin-ichi | Tsutsumi Yasuo Volume: 5 Issue: 1 Year: 2011
Validated stability indicating liquid chromatographic determination of ebastine in pharmaceuticals after pre column derivatization: Application to tablets and content uniformity testing
Author(s): Ibrahim Fawzia | Sharaf El- Din Mohie | Eid Manal | Wahba Mary
Volume: 5
Issue: 1
Year: 2011
Author(s): Ibrahim Fawzia | Sharaf El- Din Mohie | Eid Manal | Wahba Mary Volume: 5 Issue: 1 Year: 2011
The ligational behavior of an isatinic quinolyl hydrazone towards copper(II)- ions
Author(s): Seleem Hussein | El-Inany Gaber | El-Shetary Bashir | Mousa Marwa | Hanafy Fatin
Volume: 5
Issue: 1
Year: 2011
Author(s): Seleem Hussein | El-Inany Gaber | El-Shetary Bashir | Mousa Marwa | Hanafy Fatin Volume: 5 Issue: 1 Year: 2011
Synthesis and crystal structure of 1,4,10,13-tetraoxa-7,16-diazoniumcyclo-octadecane bis(4-chloro-2-methyl-phenoxyacetate)
Author(s): Adamovich Sergey | Mirskova Anna | Mirskov Rudolf | Schilde Uwe
Volume: 5
Issue: 1
Year: 2011
Author(s): Adamovich Sergey | Mirskova Anna | Mirskov Rudolf | Schilde Uwe Volume: 5 Issue: 1 Year: 2011
Influence of calcination temperature on structural and magnetic properties of nanocomposites formed by Co-ferrite dispersed in sol-gel silica matrix using tetrakis(2-hydroxyethyl) orthosilicate as precursor
Author(s): Gharagozlou Mehrnaz
Volume: 5
Issue: 1
Year: 2011
Author(s): Gharagozlou Mehrnaz Volume: 5 Issue: 1 Year: 2011
Quantifying uncertainty in the measurement of arsenic in suspended particulate matter by Atomic Absorption Spectrometry with hydride generator
Author(s): Singh Nahar | Ojha VN | Kayal Nijhuma | Ahuja Tarushee | Gupta Prabhat
Volume: 5
Issue: 1
Year: 2011
Author(s): Singh Nahar | Ojha VN | Kayal Nijhuma | Ahuja Tarushee | Gupta Prabhat Volume: 5 Issue: 1 Year: 2011
A kinetic study of mercury(II) transport through a membrane assisted by new transport reagent
Author(s): Karakus Mehmet | Alpoguz Hamza | Kaya Ahmet | Acar Nurcan | Görgülü Ahmet | Arslan Mustafa
Volume: 5
Issue: 1
Year: 2011
Author(s): Karakus Mehmet | Alpoguz Hamza | Kaya Ahmet | Acar Nurcan | Görgülü Ahmet | Arslan Mustafa Volume: 5 Issue: 1 Year: 2011
Transition metal complexes of an isatinic quinolyl hydrazone
Author(s): Seleem Hussein
Volume: 5
Issue: 1
Year: 2011
Author(s): Seleem Hussein Volume: 5 Issue: 1 Year: 2011
Nanostructured AgBr loaded TiO2: An efficient sunlight active photocatalyst for degradation of Reactive Red 120
Author(s): Velmurugan Rengasamy | Sreedhar Bojja | Swaminathan Meenakshisundaram
Volume: 5
Issue: 1
Year: 2011
Author(s): Velmurugan Rengasamy | Sreedhar Bojja | Swaminathan Meenakshisundaram Volume: 5 Issue: 1 Year: 2011
Synthesis and crystal structures of 5'-phenylspiro[indoline-3, 2'-pyrrolidin]-2-one derivatives
Author(s): Sundar Jeyaperumal | Rajesh Stephen | Sivamani Jeyaraman | Perumal Subbu | Natarajan Subramanian
Volume: 5
Issue: 1
Year: 2011
Author(s): Sundar Jeyaperumal | Rajesh Stephen | Sivamani Jeyaraman | Perumal Subbu | Natarajan Subramanian Volume: 5 Issue: 1 Year: 2011
Structure and properties of molybdenum oxide nitrides as model systems for selective oxidation catalysts
Author(s): Kühn Sven | Schmidt-Zhang Peter | Hahn Alexander | Huber Manoup | Lerch Martin | Ressler Thorsten
Volume: 5
Issue: 1
Year: 2011
Author(s): Kühn Sven | Schmidt-Zhang Peter | Hahn Alexander | Huber Manoup | Lerch Martin | Ressler Thorsten Volume: 5 Issue: 1 Year: 2011
Determination of the biologically active flavour substances thujone and camphor in foods and medicines containing sage (Salvia officinalis L.)
Author(s): Walch Stephan | Kuballa Thomas | Stühlinger Wolf | Lachenmeier Dirk
Volume: 5
Issue: 1
Year: 2011
Author(s): Walch Stephan | Kuballa Thomas | Stühlinger Wolf | Lachenmeier Dirk Volume: 5 Issue: 1 Year: 2011
Salicylic acid functionalized silica-coated magnetite nanoparticles for solid phase extraction and preconcentration of some heavy metal ions from various real samples
Author(s): Shishehbore M Reza | Afkhami Abbas | Bagheri Hasan
Volume: 5
Issue: 1
Year: 2011
Author(s): Shishehbore M Reza | Afkhami Abbas | Bagheri Hasan Volume: 5 Issue: 1 Year: 2011
An industry consensus study on an HPLC fluorescence method for the determination of (±)-catechin and (±)-epicatechin in cocoa and chocolate products
Author(s): Shumow Laura | Bodor Alison
Volume: 5
Issue: 1
Year: 2011
Author(s): Shumow Laura | Bodor Alison Volume: 5 Issue: 1 Year: 2011
Spectrophotometric determination of certain CNS stimulants in dosage forms and spiked human urine via derivatization with 2,4-Dinitrofluorobenzene
Author(s): Walash Mohamed | El-Enany Nahed | Saad Samar
Volume: 5
Issue: 1
Year: 2011
Author(s): Walash Mohamed | El-Enany Nahed | Saad Samar Volume: 5 Issue: 1 Year: 2011
Correlation between Fischer-Tropsch catalytic activity and composition of catalysts
Author(s): Ali Sardar | Mohd Zabidi Noor | Subbarao Duvvuri
Volume: 5
Issue: 1
Year: 2011
Author(s): Ali Sardar | Mohd Zabidi Noor | Subbarao Duvvuri Volume: 5 Issue: 1 Year: 2011
Development and validation of stability indicating method for determination of sertraline following ICH guidlines and its determination in pharmaceuticals and biological fluids
Author(s): Walash Mohamed | Belal Fathallah | El-Enany Nahed | Elmansi Heba
Volume: 5
Issue: 1
Year: 2011
Author(s): Walash Mohamed | Belal Fathallah | El-Enany Nahed | Elmansi Heba Volume: 5 Issue: 1 Year: 2011
Impact of fermentation, drying, roasting and Dutch processing on flavan-3-ol stereochemistry in cacao beans and cocoa ingredients
Author(s): Hurst W Jeffrey | Krake Susann | Bergmeier Stephen | Payne Mark | Miller Kenneth | Stuart David
Volume: 5
Issue: 1
Year: 2011
Author(s): Hurst W Jeffrey | Krake Susann | Bergmeier Stephen | Payne Mark | Miller Kenneth | Stuart David Volume: 5 Issue: 1 Year: 2011
Heavy metals health risk assessment for population via consumption of vegetables grown in old mining area; a case study: Banat County, Romania
Author(s): Harmanescu Monica | Alda Liana | Bordean Despina | Gogoasa Ioan | Gergen Iosif
Volume: 5
Issue: 1
Year: 2011
Author(s): Harmanescu Monica | Alda Liana | Bordean Despina | Gogoasa Ioan | Gergen Iosif Volume: 5 Issue: 1 Year: 2011
Spectrofluorimetric determination of sertraline in dosage forms and human plasma through derivatization with 9-fluorenylmethyl chloroformate
Author(s): El-Enany Nahed | Abdelal Amina | Belal Fathalla
Volume: 5
Issue: 1
Year: 2011
Author(s): El-Enany Nahed | Abdelal Amina | Belal Fathalla Volume: 5 Issue: 1 Year: 2011
Novel microwell-based spectrophotometric assay for determination of atorvastatin calcium in its pharmaceutical formulations
Author(s): Wani Tanveer | Khalil Nasr | Abdel-Rahman Hamdy | Darwish Ibrahim
Volume: 5
Issue: 1
Year: 2011
Author(s): Wani Tanveer | Khalil Nasr | Abdel-Rahman Hamdy | Darwish Ibrahim Volume: 5 Issue: 1 Year: 2011
Detection of stanozolol in environmental waters using liquid chromatography tandem mass spectrometry
Author(s): Deshmukh Nawed | Barker James | Petroczi Andrea | Naughton Declan
Volume: 5
Issue: 1
Year: 2011
Author(s): Deshmukh Nawed | Barker James | Petroczi Andrea | Naughton Declan Volume: 5 Issue: 1 Year: 2011
The acceptance of in silico models for REACH: Requirements, barriers, and perspectives
Author(s): Benfenati Emilio | Diaza Rodolfo | Cassano Antonio | Pardoe Simon | Gini Giuseppina | Mays Claire | Knauf Ralf | Benighaus Ludger
Volume: 5
Issue: 1
Year: 2011
Author(s): Benfenati Emilio | Diaza Rodolfo | Cassano Antonio | Pardoe Simon | Gini Giuseppina | Mays Claire | Knauf Ralf | Benighaus Ludger Volume: 5 Issue: 1 Year: 2011
Spectrophotometric determination of tizanidine and orphenadrine via ion pair complex formation using eosin Y
Author(s): Walash Mohamed | Belal Fathalla | Eid Manal | Mohamed Samah
Volume: 5
Issue: 1
Year: 2011
Author(s): Walash Mohamed | Belal Fathalla | Eid Manal | Mohamed Samah Volume: 5 Issue: 1 Year: 2011
A novel method for spectrophotometric determination of pregabalin in pure form and in capsules
Author(s): Bali Alka | Gaur Prateek
Volume: 5
Issue: 1
Year: 2011
Author(s): Bali Alka | Gaur Prateek Volume: 5 Issue: 1 Year: 2011
Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU)
Author(s): Rivera Augusto | Sadat-Bernal John | Ríos-Motta Jaime | Dušek Michal | Palatinus Lukáš
Volume: 5
Issue: 1
Year: 2011
Author(s): Rivera Augusto | Sadat-Bernal John | Ríos-Motta Jaime | Dušek Michal | Palatinus Lukáš Volume: 5 Issue: 1 Year: 2011
New thermodynamic data for CoTiO3, NiTiO3 and CoCO3 based on low-temperature calorimetric measurements
Author(s): Klemme Stephan | Hermes Wilfried | Eul Mathias | Wijbrans Clazina | Rohrbach Arno | Pöttgen Rainer
Volume: 5
Issue: 1
Year: 2011
Author(s): Klemme Stephan | Hermes Wilfried | Eul Mathias | Wijbrans Clazina | Rohrbach Arno | Pöttgen Rainer Volume: 5 Issue: 1 Year: 2011
Cd(II) and Pb(II) complexes of the polyether ionophorous antibiotic salinomycin
Author(s): Ivanova Juliana | Pantcheva Ivayla | Mitewa Mariana | Simova Svetlana | Tanabe Makoto | Osakada Kohtaro
Volume: 5
Issue: 1
Year: 2011
Author(s): Ivanova Juliana | Pantcheva Ivayla | Mitewa Mariana | Simova Svetlana | Tanabe Makoto | Osakada Kohtaro Volume: 5 Issue: 1 Year: 2011
Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil
Author(s): Portalone Gustavo
Volume: 5
Issue: 1
Year: 2011
Author(s): Portalone Gustavo Volume: 5 Issue: 1 Year: 2011
Development of a method for environmentally friendly chemical peptide synthesis in water using water-dispersible amino acid nanoparticles
Author(s): Hojo Keiko | Hara Asaki | Kitai Hiroyuki | Onishi Mare | Ichikawa Hideki | Fukumori Yoshinobu | Kawasaki Koichi
Volume: 5
Issue: 1
Year: 2011
Author(s): Hojo Keiko | Hara Asaki | Kitai Hiroyuki | Onishi Mare | Ichikawa Hideki | Fukumori Yoshinobu | Kawasaki Koichi Volume: 5 Issue: 1 Year: 2011
Assessment of an in vitro whole cigarette smoke exposure system: The Borgwaldt RM20S 8-syringe smoking machine
Author(s): Adamson Jason | Azzopardi David | Errington Graham | Dickens Colin | McAughey John | Gaça Marianna
Volume: 5
Issue: 1
Year: 2011
Author(s): Adamson Jason | Azzopardi David | Errington Graham | Dickens Colin | McAughey John | Gaça Marianna Volume: 5 Issue: 1 Year: 2011
Current status of multiple antigen-presenting peptide vaccine systems: Application of organic and inorganic nanoparticles
Author(s): Fujita Yoshio | Taguchi Hiroaki
Volume: 5
Issue: 1
Year: 2011
Author(s): Fujita Yoshio | Taguchi Hiroaki Volume: 5 Issue: 1 Year: 2011
Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family
Author(s): Livesay Dennis | Huynh Dang | Dallakyan Sargis | Jacobs Donald
Volume: 2
Issue: 1
Year: 2008
Author(s): Livesay Dennis | Huynh Dang | Dallakyan Sargis | Jacobs Donald Volume: 2 Issue: 1 Year: 2008
Thermodynamics of binding of divalent magnesium and manganese to uridine phosphates: implications for diabetes-related hypomagnesaemia and carbohydrate biocatalysis
Author(s): Zea Corbin | Camci-Unal Gulden | Pohl Nicola
Volume: 2
Issue: 1
Year: 2008
Author(s): Zea Corbin | Camci-Unal Gulden | Pohl Nicola Volume: 2 Issue: 1 Year: 2008
The speciation of the proteome
Author(s): Jungblut Peter | Holzhütter Hermann | Apweiler Rolf | Schlüter Hartmut
Volume: 2
Issue: 1
Year: 2008
Author(s): Jungblut Peter | Holzhütter Hermann | Apweiler Rolf | Schlüter Hartmut Volume: 2 Issue: 1 Year: 2008
Determination of metal ion content of beverages and estimation of target hazard quotients: a comparative study
Author(s): Hague Theresa | Petroczi Andrea | Andrews Paul | Barker James | Naughton Declan
Volume: 2
Issue: 1
Year: 2008
Author(s): Hague Theresa | Petroczi Andrea | Andrews Paul | Barker James | Naughton Declan Volume: 2 Issue: 1 Year: 2008
An assessment of the levels of phthalate esters and metals in the Muledane open dump, Thohoyandou, Limpopo Province, South Africa
Author(s): Adeniyi Adeleke | Dayomi Matthew | Siebe Pitso | Okedeyi Olumuyiwa
Volume: 2
Issue: 1
Year: 2008
Author(s): Adeniyi Adeleke | Dayomi Matthew | Siebe Pitso | Okedeyi Olumuyiwa Volume: 2 Issue: 1 Year: 2008
Determining the chemical activity of hydrophobic organic compounds in soil using polymer coated vials
Author(s): Reichenberg Fredrik | Smedes Foppe | Jönsson Jan-Åke | Mayer Philipp
Volume: 2
Issue: 1
Year: 2008
Author(s): Reichenberg Fredrik | Smedes Foppe | Jönsson Jan-Åke | Mayer Philipp Volume: 2 Issue: 1 Year: 2008
Study on the effects of nitrilotriproprionic acid and 4,5-dihydroxy-1,3-benzene disulphonate on the fractionation of beryllium in human serum using graphite furnace atomic absorption spectrometry
Author(s): Stephan Chadi | Fournier Michel | Brousseau Pauline | Sauvé Sébastien
Volume: 2
Issue: 1
Year: 2008
Author(s): Stephan Chadi | Fournier Michel | Brousseau Pauline | Sauvé Sébastien Volume: 2 Issue: 1 Year: 2008
Freezing point osmometry of milk to determine the additional water content – an issue in general quality control and German food regulation
Author(s): Büttel Britta | Fuchs Markus | Holz Birger
Volume: 2
Issue: 1
Year: 2008
Author(s): Büttel Britta | Fuchs Markus | Holz Birger Volume: 2 Issue: 1 Year: 2008
The effect of ultrasonic pre-treatment on the catalytic activity of lipases in aqueous and non-aqueous media
Author(s): Shah Shweta | Gupta Munishwar
Volume: 2
Issue: 1
Year: 2008
Author(s): Shah Shweta | Gupta Munishwar Volume: 2 Issue: 1 Year: 2008
Optimising biocatalyst design for obtaining high transesterification activity by α-chymotrypsin in non-aqueous media
Author(s): Solanki Kusum | Gupta Munishwar
Volume: 2
Issue: 1
Year: 2008
Author(s): Solanki Kusum | Gupta Munishwar Volume: 2 Issue: 1 Year: 2008
GC-MS studies of the chemical composition of two inedible mushrooms of the genus Agaricus
Author(s): Petrova Assya | Alipieva Kalina | Kostadinova Emanuela | Antonova Daniela | Lacheva Maria | Gjosheva Melania | Popov Simeon | Bankova Vassya
Volume: 1
Issue: 1
Year: 2007
Author(s): Petrova Assya | Alipieva Kalina | Kostadinova Emanuela | Antonova Daniela | Lacheva Maria | Gjosheva Melania | Popov Simeon | Bankova Vassya Volume: 1 Issue: 1 Year: 2007
On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes
Author(s): Steffen Andreas | Apostolakis Joannis
Volume: 1
Issue: 1
Year: 2007
Author(s): Steffen Andreas | Apostolakis Joannis Volume: 1 Issue: 1 Year: 2007
R22(8) motifs in Aminopyrimidine sulfonate/carboxylate interactions: Crystal structures of pyrimethaminium benzenesulfonate monohydrate (2:2:1) and 2-amino-4,6-dimethylpyrimidinium sulfosalicylate dihydrate (4:2:2)
Author(s): Balasubramani Kasthuri | Muthiah Packianathan | Lynch Daniel
Volume: 1
Issue: 1
Year: 2007
Author(s): Balasubramani Kasthuri | Muthiah Packianathan | Lynch Daniel Volume: 1 Issue: 1 Year: 2007
Enhancement of lipase activity in non-aqueous media upon immobilization on multi-walled carbon nanotubes
Author(s): Shah Shweta | Solanki Kusum | Gupta Munishwar
Volume: 1
Issue: 1
Year: 2007
Author(s): Shah Shweta | Solanki Kusum | Gupta Munishwar Volume: 1 Issue: 1 Year: 2007
Interaction of 2-aminopyrimidine with dichloro-[1-alkyl-2-(naphthylazo) imidazole]palladium(II) complexes : Kinetic and mechanistic studies
Author(s): Ghosh Pradip | Saha Sushanta | Mahapatra Ambikesh
Volume: 1
Issue: 1
Year: 2007
Author(s): Ghosh Pradip | Saha Sushanta | Mahapatra Ambikesh Volume: 1 Issue: 1 Year: 2007
Three novel oligosaccharides synthesized using Thermoanaerobacter brockii kojibiose phosphorylase
Author(s): Takahashi Natsuko | Fukushi Eri | Onodera Shuichi | Benkeblia Noureddine | Nishimoto Tomoyuki | Kawabata Jun | Shiomi Norio
Volume: 1
Issue: 1
Year: 2007
Author(s): Takahashi Natsuko | Fukushi Eri | Onodera Shuichi | Benkeblia Noureddine | Nishimoto Tomoyuki | Kawabata Jun | Shiomi Norio Volume: 1 Issue: 1 Year: 2007
Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes
Author(s): Orlandi Silvia | Muccioli Luca | Ricci Matteo | Berardi Roberto | Zannoni Claudio
Volume: 1
Issue: 1
Year: 2007
Author(s): Orlandi Silvia | Muccioli Luca | Ricci Matteo | Berardi Roberto | Zannoni Claudio Volume: 1 Issue: 1 Year: 2007
Characterization of Italian honeys (Marche Region) on the basis of their mineral content and some typical quality parameters
Author(s): Conti Marcelo | Stripeikis Jorge | Campanella Luigi | Cucina Domenico | Tudino Mabel
Volume: 1
Issue: 1
Year: 2007
Author(s): Conti Marcelo | Stripeikis Jorge | Campanella Luigi | Cucina Domenico | Tudino Mabel Volume: 1 Issue: 1 Year: 2007
Fast 3D shape screening of large chemical databases through alignment-recycling
Author(s): Fontaine Fabien | Bolton Evan | Borodina Yulia | Bryant Stephen
Volume: 1
Issue: 1
Year: 2007
Author(s): Fontaine Fabien | Bolton Evan | Borodina Yulia | Bryant Stephen Volume: 1 Issue: 1 Year: 2007
A multipurpose immobilized biocatalyst with pectinase, xylanase and cellulase activities
Author(s): Dalal Sohel | Sharma Aparna | Gupta Munishwar
Volume: 1
Issue: 1
Year: 2007
Author(s): Dalal Sohel | Sharma Aparna | Gupta Munishwar Volume: 1 Issue: 1 Year: 2007
Predicting olfactory receptor neuron responses from odorant structure
Author(s): Schmuker Michael | de Bruyne Marien | Hähnel Melanie | Schneider Gisbert
Volume: 1
Issue: 1
Year: 2007
Author(s): Schmuker Michael | de Bruyne Marien | Hähnel Melanie | Schneider Gisbert Volume: 1 Issue: 1 Year: 2007
PocketPicker: analysis of ligand binding-sites with shape descriptors
Author(s): Weisel Martin | Proschak Ewgenij | Schneider Gisbert
Volume: 1
Issue: 1
Year: 2007
Author(s): Weisel Martin | Proschak Ewgenij | Schneider Gisbert Volume: 1 Issue: 1 Year: 2007
Microwave assisted solvent free synthesis of 1,3-diphenylpropenones
Author(s): Kakati Dwipen | Sarma Jadab
Volume: 5
Issue: 1
Year: 2011
Author(s): Kakati Dwipen | Sarma Jadab Volume: 5 Issue: 1 Year: 2011
Screening of conditions controlling spectrophotometric sequential injection analysis
Author(s): Idris Abubakr
Volume: 5
Issue: 1
Year: 2011
Author(s): Idris Abubakr Volume: 5 Issue: 1 Year: 2011
Biofunctional activity of tortillas and bars enhanced with nopal. Preliminary assessment of functional effect after intake on the oxidative status in healthy volunteers
Author(s): Guevara-Arauza Juan | Órnelas Paz José | Mendoza Sergio | Guerra Ruth | Paz Maldonado Luz | González Diana
Volume: 5
Issue: 1
Year: 2011
Author(s): Guevara-Arauza Juan | Órnelas Paz José | Mendoza Sergio | Guerra Ruth | Paz Maldonado Luz | González Diana Volume: 5 Issue: 1 Year: 2011
Validated stability-indicating spectrofluorimetric methods for the determination of ebastine in pharmaceutical preparations
Author(s): Ibrahim Fawzia | El-Din Mohie | Eid Manal | Wahba Mary
Volume: 5
Issue: 1
Year: 2011
Author(s): Ibrahim Fawzia | El-Din Mohie | Eid Manal | Wahba Mary Volume: 5 Issue: 1 Year: 2011
Cloning and functional characterization of a fructan 1-exohydrolase (1-FEH) in edible burdock (Arctium lappa L.)
Author(s): Ueno Keiji | Ishiguro Yojiro | Yoshida Midori | Onodera Shuichi | Shiomi Norio
Volume: 5
Issue: 1
Year: 2011
Author(s): Ueno Keiji | Ishiguro Yojiro | Yoshida Midori | Onodera Shuichi | Shiomi Norio Volume: 5 Issue: 1 Year: 2011
Reduction of aldehydes and hydrogen cyanide yields in mainstream cigarette smoke using an amine functionalised ion exchange resin
Author(s): Branton Peter | McAdam Kevin | Winter Dinah | Liu Chuan | Duke Martin | Proctor Christopher
Volume: 5
Issue: 1
Year: 2011
Author(s): Branton Peter | McAdam Kevin | Winter Dinah | Liu Chuan | Duke Martin | Proctor Christopher Volume: 5 Issue: 1 Year: 2011
Rapid methods to detect organic mercury and total selenium in biological samples
Author(s): Nam Dong-Ha | Basu Niladri
Volume: 5
Issue: 1
Year: 2011
Author(s): Nam Dong-Ha | Basu Niladri Volume: 5 Issue: 1 Year: 2011
The ligational behavior of a phenolic quinolyl hydrazone towards copper(II)- ions
Author(s): Seleem Hussein | El-Inany Gaber | El-Shetary Bashir | Mousa Marwa
Volume: 5
Issue: 1
Year: 2011
Author(s): Seleem Hussein | El-Inany Gaber | El-Shetary Bashir | Mousa Marwa Volume: 5 Issue: 1 Year: 2011
Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Author(s): Crozier Stephen | Preston Amy | Hurst Jeffrey | Payne Mark | Mann Julie | Hainly Larry | Miller Debra
Volume: 5
Issue: 1
Year: 2011
Author(s): Crozier Stephen | Preston Amy | Hurst Jeffrey | Payne Mark | Mann Julie | Hainly Larry | Miller Debra Volume: 5 Issue: 1 Year: 2011
Effect of carboxymethyl cellulose concentration on physical properties of biodegradable cassava starch-based films
Author(s): Tongdeesoontorn Wirongrong | Mauer Lisa | Wongruong Sasitorn | Sriburi Pensiri | Rachtanapun Pornchai
Volume: 5
Issue: 1
Year: 2011
Author(s): Tongdeesoontorn Wirongrong | Mauer Lisa | Wongruong Sasitorn | Sriburi Pensiri | Rachtanapun Pornchai Volume: 5 Issue: 1 Year: 2011
Gaseous emissions during concurrent combustion of biomass and non-recyclable municipal solid waste
Author(s): Laryea-Goldsmith René | Oakey John | Simms Nigel
Volume: 5
Issue: 1
Year: 2011
Author(s): Laryea-Goldsmith René | Oakey John | Simms Nigel Volume: 5 Issue: 1 Year: 2011
Characterization of volatile compounds of Daucus crinitus Desf. Headspace Solid Phase Microextraction as alternative technique to Hydrodistillation
Author(s): El Amine Dib Mohammed | Djabou Nassim | Desjobert Jean-Marie | Allali Houcine | Tabti Boufeldja | Muselli Alain | Costa Jean
Volume: 4
Issue: 1
Year: 2010
Author(s): El Amine Dib Mohammed | Djabou Nassim | Desjobert Jean-Marie | Allali Houcine | Tabti Boufeldja | Muselli Alain | Costa Jean Volume: 4 Issue: 1 Year: 2010
Free radicals produced by the oxidation of gallic acid: An electron paramagnetic resonance study
Author(s): Eslami Angelique | Pasanphan Wanvimol | Wagner Brett | Buettner Garry
Volume: 4
Issue: 1
Year: 2010
Author(s): Eslami Angelique | Pasanphan Wanvimol | Wagner Brett | Buettner Garry Volume: 4 Issue: 1 Year: 2010
STXMPy: a new software package for automated region of interest selection and statistical analysis of XANES data
Author(s): Haraszti Tamás | Grunze Michael | Anderson Michael
Volume: 4
Issue: 1
Year: 2010
Author(s): Haraszti Tamás | Grunze Michael | Anderson Michael Volume: 4 Issue: 1 Year: 2010
A novel chemiluminescence assay of organophosphorous pesticide quinalphos residue in vegetable with luminol detection
Author(s): Hu Haoyu | Liu Xiaoyu | Jiang Feng | Yao Xin | Cui Xiaocheng
Volume: 4
Issue: 1
Year: 2010
Author(s): Hu Haoyu | Liu Xiaoyu | Jiang Feng | Yao Xin | Cui Xiaocheng Volume: 4 Issue: 1 Year: 2010
Characterization of recombinant β-fructofuranosidase from Bifidobacterium adolescentis G1
Author(s): Omori Toshima | Ueno Keiji | Muramatsu Kei | Kikuchi Masanori | Onodera Shuichi | Shiomi Norio
Volume: 4
Issue: 1
Year: 2010
Author(s): Omori Toshima | Ueno Keiji | Muramatsu Kei | Kikuchi Masanori | Onodera Shuichi | Shiomi Norio Volume: 4 Issue: 1 Year: 2010
Time-dependent integrity during storage of natural surface water samples for the trace analysis of pharmaceutical products, feminizing hormones and pesticides
Author(s): Aboulfadl Khadija | De Potter Cyril | Prévost Michèle | Sauvé Sébastien
Volume: 4
Issue: 1
Year: 2010
Author(s): Aboulfadl Khadija | De Potter Cyril | Prévost Michèle | Sauvé Sébastien Volume: 4 Issue: 1 Year: 2010
An ab initio and AIM investigation into the hydration of 2-thioxanthine
Author(s): Yuan Xiu-Xiang | Wang Yan-Fang | Wang Xin | Chen Wenbo | Fossey John | Wong Ning-Bew
Volume: 4
Issue: 1
Year: 2010
Author(s): Yuan Xiu-Xiang | Wang Yan-Fang | Wang Xin | Chen Wenbo | Fossey John | Wong Ning-Bew Volume: 4 Issue: 1 Year: 2010
Rapid and mobile determination of alcoholic strength in wine, beer and spirits using a flow-through infrared sensor
Author(s): Lachenmeier Dirk | Godelmann Rolf | Steiner Markus | Ansay Bob | Weigel Jürgen | Krieg Gunther
Volume: 4
Issue: 1
Year: 2010
Author(s): Lachenmeier Dirk | Godelmann Rolf | Steiner Markus | Ansay Bob | Weigel Jürgen | Krieg Gunther Volume: 4 Issue: 1 Year: 2010
The development of a knowledge base for basic active structures: an example case of dopamine agonists
Author(s): Okada Takashi | Yamakawa Masumi | Ohmori Norihito | Mori Sachio | Horikawa Hiroshi | Hayashi Taketo | Fujishima Satoshi
Volume: 4
Issue: 1
Year: 2010
Author(s): Okada Takashi | Yamakawa Masumi | Ohmori Norihito | Mori Sachio | Horikawa Hiroshi | Hayashi Taketo | Fujishima Satoshi Volume: 4 Issue: 1 Year: 2010
Biodistribution of gold nanoparticles in mouse lung following intratracheal instillation
Author(s): Sadauskas Evaldas | Jacobsen Nicklas | Danscher Gorm | Stoltenberg Meredin | Vogel Ulla | Larsen Agnete | Kreyling Wolfgang | Wallin Håkan
Volume: 3
Issue: 1
Year: 2009
Author(s): Sadauskas Evaldas | Jacobsen Nicklas | Danscher Gorm | Stoltenberg Meredin | Vogel Ulla | Larsen Agnete | Kreyling Wolfgang | Wallin Håkan Volume: 3 Issue: 1 Year: 2009
Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations
Author(s): Goswami Mithun | Nayak Pabitra | Periasamy N | Madhu PK
Volume: 3
Issue: 1
Year: 2009
Author(s): Goswami Mithun | Nayak Pabitra | Periasamy N | Madhu PK Volume: 3 Issue: 1 Year: 2009
Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species
Author(s): Kubicki James | Halada Gary | Jha Prashant | Phillips Brian
Volume: 3
Issue: 1
Year: 2009
Author(s): Kubicki James | Halada Gary | Jha Prashant | Phillips Brian Volume: 3 Issue: 1 Year: 2009
NMR and molecular modelling studies on the interaction of fluconazole with β-cyclodextrin
Author(s): Upadhyay Santosh | Kumar Gyanendra
Volume: 3
Issue: 1
Year: 2009
Author(s): Upadhyay Santosh | Kumar Gyanendra Volume: 3 Issue: 1 Year: 2009
An in vitro based investigation of the cytotoxic effect of water extracts of the Chinese herbal remedy LD on cancer cells
Author(s): Willimott Shaun | Barker James | Jones Lucy | Opara Elizabeth
Volume: 3
Issue: 1
Year: 2009
Author(s): Willimott Shaun | Barker James | Jones Lucy | Opara Elizabeth Volume: 3 Issue: 1 Year: 2009
Chemiluminescence determination of surfactant Triton X-100 in environmental water with luminol-hydrogen peroxide system
Author(s): Liu Xiaoyu | Li Aifang | Zhou Baohui | Qiu Chaokun | Ren Hongmin
Volume: 3
Issue: 1
Year: 2009
Author(s): Liu Xiaoyu | Li Aifang | Zhou Baohui | Qiu Chaokun | Ren Hongmin Volume: 3 Issue: 1 Year: 2009
Structural analysis of three novel trisaccharides isolated from the fermented beverage of plant extracts
Author(s): Okada Hideki | Fukushi Eri | Yamamori Akira | Kawazoe Naoki | Onodera Shuichi | Kawabata Jun | Shiomi Norio
Volume: 3
Issue: 1
Year: 2009
Author(s): Okada Hideki | Fukushi Eri | Yamamori Akira | Kawazoe Naoki | Onodera Shuichi | Kawabata Jun | Shiomi Norio Volume: 3 Issue: 1 Year: 2009
Inner-sphere oxidation of ternary iminodiacetatochromium(III) complexes involving DL-valine and L-arginine as secondary ligands. Isokinetic relationship for the oxidation of ternary iminodiacetato-chromium(III) complexes by periodate
Author(s): Ewais Hassan | Dahman Faris | Abdel-Khalek Ahmed
Volume: 3
Issue: 1
Year: 2009
Author(s): Ewais Hassan | Dahman Faris | Abdel-Khalek Ahmed Volume: 3 Issue: 1 Year: 2009
Automated extraction of chemical structure information from digital raster images
Author(s): Park Jungkap | Rosania Gus | Shedden Kerby | Nguyen Mandee | Lyu Naesung | Saitou Kazuhiro
Volume: 3
Issue: 1
Year: 2009
Author(s): Park Jungkap | Rosania Gus | Shedden Kerby | Nguyen Mandee | Lyu Naesung | Saitou Kazuhiro Volume: 3 Issue: 1 Year: 2009
Assembling proteomics data as a prerequisite for the analysis of large scale experiments
Author(s): Schmidt Frank | Schmid Monika | Thiede Bernd | Pleißner Klaus-Peter | Böhme Martina | Jungblut Peter
Volume: 3
Issue: 1
Year: 2009
Author(s): Schmidt Frank | Schmid Monika | Thiede Bernd | Pleißner Klaus-Peter | Böhme Martina | Jungblut Peter Volume: 3 Issue: 1 Year: 2009
Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks
Author(s): Naughton Declan | Petróczi Andrea
Volume: 2
Issue: 1
Year: 2008
Author(s): Naughton Declan | Petróczi Andrea Volume: 2 Issue: 1 Year: 2008
Oxidative stress and immunologic responses following a dietary exposure to PAHs in Mya arenaria
Author(s): Pichaud Nicolas | Pellerin Jocelyne | Fournier Michel | Gauthier-Clerc Sophie | Rioux Pascal | Pelletier Émilien
Volume: 2
Issue: 1
Year: 2008
Author(s): Pichaud Nicolas | Pellerin Jocelyne | Fournier Michel | Gauthier-Clerc Sophie | Rioux Pascal | Pelletier Émilien Volume: 2 Issue: 1 Year: 2008
Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction
Author(s): O'Boyle Noel | Palmer David | Nigsch Florian | Mitchell John
Volume: 2
Issue: 1
Year: 2008
Author(s): O'Boyle Noel | Palmer David | Nigsch Florian | Mitchell John Volume: 2 Issue: 1 Year: 2008
Solvent effect on the spectral properties of Neutral Red
Author(s): Rauf Muhammad | Soliman Ahmed | Khattab Muhammad
Volume: 2
Issue: 1
Year: 2008
Author(s): Rauf Muhammad | Soliman Ahmed | Khattab Muhammad Volume: 2 Issue: 1 Year: 2008
DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
Author(s): Jiang Xiaohui | Kumar Kamal | Hu Xin | Wallqvist Anders | Reifman Jaques
Volume: 2
Issue: 1
Year: 2008
Author(s): Jiang Xiaohui | Kumar Kamal | Hu Xin | Wallqvist Anders | Reifman Jaques Volume: 2 Issue: 1 Year: 2008
The catalytic role of uranyl in formation of polycatechol complexes
Author(s): Jha Prashant | Halada Gary
Volume: 5
Issue: 1
Year: 2011
Author(s): Jha Prashant | Halada Gary Volume: 5 Issue: 1 Year: 2011
Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers
Author(s): Shirani IL Beigi Hossein | Jameh-Bozorghi Saeed
Volume: 5
Issue: 1
Year: 2011
Author(s): Shirani IL Beigi Hossein | Jameh-Bozorghi Saeed Volume: 5 Issue: 1 Year: 2011
Going beyond the textbook: The need to integrate open access primary literature into the Chemistry curriculum
Author(s): Pence Harry | Losoff Barbara
Volume: 5
Issue: 1
Year: 2011
Author(s): Pence Harry | Losoff Barbara Volume: 5 Issue: 1 Year: 2011
Synthesis and characterization of new aromatic esters based on 4,16-pregnadiene-6,20-dione skeleton
Author(s): Li Juan | Li Hongqi | Li Yijing
Volume: 4
Issue: 1
Year: 2010
Author(s): Li Juan | Li Hongqi | Li Yijing Volume: 4 Issue: 1 Year: 2010
Hollow mesoporous silica nanoparticles for intracellular delivery of fluorescent dye
Author(s): Guo Huichen | Qian Haisheng | Sun Shiqi | Sun Dehui | Yin Hong | Cai Xuepeng | Liu Zaixin | Wu Jinyan | Jiang Tao | Liu Xiangtao
Volume: 5
Issue: 1
Year: 2011
Author(s): Guo Huichen | Qian Haisheng | Sun Shiqi | Sun Dehui | Yin Hong | Cai Xuepeng | Liu Zaixin | Wu Jinyan | Jiang Tao | Liu Xiangtao Volume: 5 Issue: 1 Year: 2011
Electrochemical determination of hydroquinone using hydrophobic ionic liquid-type carbon paste electrodes
Author(s): She Yiyi | Tang Yougen | Liu Hongtao | He Ping
Volume: 4
Issue: 1
Year: 2010
Author(s): She Yiyi | Tang Yougen | Liu Hongtao | He Ping Volume: 4 Issue: 1 Year: 2010
Electrodeposition of quaternary alloys in the presence of magnetic field
Author(s): Ebadi Mehdi | Basirun Wan | Alias Yatimah | Mahmoudian Mohammadreza
Volume: 4
Issue: 1
Year: 2010
Author(s): Ebadi Mehdi | Basirun Wan | Alias Yatimah | Mahmoudian Mohammadreza Volume: 4 Issue: 1 Year: 2010
Computational molecular characterization of the flavonoid rutin
Author(s): Payán-Gómez Sergio | Flores-Holguín Norma | Pérez-Hernández Antonino | Piñón-Miramontes Manuel | Glossman-Mitnik Daniel
Volume: 4
Issue: 1
Year: 2010
Author(s): Payán-Gómez Sergio | Flores-Holguín Norma | Pérez-Hernández Antonino | Piñón-Miramontes Manuel | Glossman-Mitnik Daniel Volume: 4 Issue: 1 Year: 2010
Discovery and SAR exploration of N-aryl-N-(3-aryl-1,2,4-oxadiazol-5-yl)amines as potential therapeutic agents for prostate cancer
Author(s): Krasavin Mikhail | Rufanov Konstantin | Sosnov Andrey | Karapetian Ruben | Godovykh Elena | Soldatkina Olga | Lavrovsky Yan | Gakh Andrei
Volume: 4
Issue: 1
Year: 2010
Author(s): Krasavin Mikhail | Rufanov Konstantin | Sosnov Andrey | Karapetian Ruben | Godovykh Elena | Soldatkina Olga | Lavrovsky Yan | Gakh Andrei Volume: 4 Issue: 1 Year: 2010
Antibacterial mono- and sesquiterpene esters of benzoic acids from Iranian propolis
Author(s): Trusheva Boryana | Todorov Ivelin | Ninova Mariana | Najdenski Hristo | Daneshmand Ali | Bankova Vassya
Volume: 4
Issue: 1
Year: 2010
Author(s): Trusheva Boryana | Todorov Ivelin | Ninova Mariana | Najdenski Hristo | Daneshmand Ali | Bankova Vassya Volume: 4 Issue: 1 Year: 2010
A Cu2+ ion-selective fluoroionophore with dual off/on switches
Author(s): Moriuchi-Kawakami Takayo | Hisada Youji | Shibutani Yasuhiko
Volume: 4
Issue: 1
Year: 2010
Author(s): Moriuchi-Kawakami Takayo | Hisada Youji | Shibutani Yasuhiko Volume: 4 Issue: 1 Year: 2010
Electron ionization mass spectral fragmentation study of sulfation derivatives of polychlorinated biphenyls
Author(s): Li Xueshu | Robertson Larry | Lehmler Hans-Joachim
Volume: 3
Issue: 1
Year: 2009
Author(s): Li Xueshu | Robertson Larry | Lehmler Hans-Joachim Volume: 3 Issue: 1 Year: 2009
Cinfony – combining Open Source cheminformatics toolkits behind a common interface
Author(s): O'Boyle Noel | Hutchison Geoffrey
Volume: 2
Issue: 1
Year: 2008
Author(s): O'Boyle Noel | Hutchison Geoffrey Volume: 2 Issue: 1 Year: 2008
A user-friendly Matlab program and GUI for the pseudorotation analysis of saturated five-membered ring systems based on scalar coupling constants
Author(s): Hendrickx Pieter | Martins José
Volume: 2
Issue: 1
Year: 2008
Author(s): Hendrickx Pieter | Martins José Volume: 2 Issue: 1 Year: 2008
Selective masking and demasking for the stepwise complexometric determination of aluminium, lead and zinc from the same solution
Author(s): Kayal Nijhuma | Singh Nahar
Volume: 2
Issue: 1
Year: 2008
Author(s): Kayal Nijhuma | Singh Nahar Volume: 2 Issue: 1 Year: 2008
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Author(s): O'Boyle Noel | Morley Chris | Hutchison Geoffrey
Volume: 2
Issue: 1
Year: 2008
Author(s): O'Boyle Noel | Morley Chris | Hutchison Geoffrey Volume: 2 Issue: 1 Year: 2008
The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files
Author(s): Lancashire Robert
Volume: 1
Issue: 1
Year: 2007
Author(s): Lancashire Robert Volume: 1 Issue: 1 Year: 2007
Stepwise complexometric determination of aluminium, titanium and iron concentrations in silica sand and allied materials
Author(s): Kayal Nijhuma | Singh Nahar
Volume: 1
Issue: 1
Year: 2007
Author(s): Kayal Nijhuma | Singh Nahar Volume: 1 Issue: 1 Year: 2007
The necessary length of carbon nanotubes required to optimize solar cells
Author(s): Vaezzadeh Majid | Saeedi Mohammad | Barghi Tirdad | Sadeghi Mohammad
Volume: 1
Issue: 1
Year: 2007
Author(s): Vaezzadeh Majid | Saeedi Mohammad | Barghi Tirdad | Sadeghi Mohammad Volume: 1 Issue: 1 Year: 2007
Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]
Author(s): Coles Simon | Davies David | Hursthouse Michael | Huth Susanne | Kılıç Adem | Light Mark | Odlyha Marianne | Rutherford John | Shaw Robert | Uslu Aylin
Volume: 1
Issue: 1
Year: 2007
Author(s): Coles Simon | Davies David | Hursthouse Michael | Huth Susanne | Kılıç Adem | Light Mark | Odlyha Marianne | Rutherford John | Shaw Robert | Uslu Aylin Volume: 1 Issue: 1 Year: 2007
Enantioselective transacetylation of (R,S)-β-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase
Author(s): Majumder Abir | Shah Shweta | Gupta Munishwar
Volume: 1
Issue: 1
Year: 2007
Author(s): Majumder Abir | Shah Shweta | Gupta Munishwar Volume: 1 Issue: 1 Year: 2007
Facile solution-phase synthesis of γ-Mn3O4 hierarchical structures
Author(s): Wu Zhengcui | Yu Kuai | Huang Yaobin | Pan Cheng | Xie Yi
Volume: 1
Issue: 1
Year: 2007
Author(s): Wu Zhengcui | Yu Kuai | Huang Yaobin | Pan Cheng | Xie Yi Volume: 1 Issue: 1 Year: 2007
Isolation, purification, and full NMR assignments of cyclopamine from Veratrum californicum
Author(s): Oatis John | Brunsfeld Pam | Rushing James | Moeller Peter | Bearden Daniel | Gallien Thomas | Cooper George
Volume: 2
Issue: 1
Year: 2008
Author(s): Oatis John | Brunsfeld Pam | Rushing James | Moeller Peter | Bearden Daniel | Gallien Thomas | Cooper George Volume: 2 Issue: 1 Year: 2008
Graphite furnace atomic absorption spectrometry as a routine method for the quantification of beryllium in blood and serum
Author(s): Stephan Chadi | Fournier Michel | Brousseau Pauline | Sauvé Sébastien
Volume: 2
Issue: 1
Year: 2008
Author(s): Stephan Chadi | Fournier Michel | Brousseau Pauline | Sauvé Sébastien Volume: 2 Issue: 1 Year: 2008
