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Modeling Natural Anti-Inflammatory Compounds by Molecular Topology

Author(s): María Galvez-Llompart | Riccardo Zanni | Ramón García-Domenech
Near infrared nadir retrieval of vertical column densities: methodology and application to SCIAMACHY

Author(s): S. Gimeno García | F. Schreier | G. Lichtenberg | S. Slijkhuis
Multi-Parametric Profiling Network Based on Gene Expression and Phenotype Data: A Novel Approach to Developmental Neurotoxicity Testing

Author(s): Reiko Nagano | Hiromi Akanuma | Xian-Yang Qin | Satoshi Imanishi | Hiroyoshi Toyoshiba | Jun Yoshinaga | Seiichiroh Ohsako | Hideko Sone
Fractionation of Whey Protein Isolate with Supercritical Carbon Dioxide—Process Modeling and Cost Estimation

Author(s): Alexandra L. Yver | Laetitia M. Bonnaillie | Winnie Yee | Andrew McAloon | Peggy M. Tomasula
The Complementarity Effect for Cdc25 Phosphatase Inhibitors

Author(s): Wassila Soufi | Meriem Merad | Faïza Boukli | Saïd Ghalem
Molecular Modeling of Chemicals Products Inhibitors of Growth Struvite Crystal

Author(s): Mohamed Beghalia | Hocine Allali | Saïd. Ghalem | Aïssa. Belouatek | Abdelhamid Sari
Mathematical Simulation of Graphene With Modified c-c Bond Length and Transfer Energy

Author(s): P.A. Alvi | S.Z. Hashmi | S. Dalela | F. Rahman
Molecular dynamics simulations regarding the properties of cellulose/chondroitin-sulphate based hydrogels as drug delivery matrices

Author(s): Andrei Neamtu | Tudor Petreus | Ana-Maria Oprea | Lucian Gorgan | Ostin-Costel Mungiu
Rheological properties and solvent structure of polysaccharide hydrogels studied by molecular dynamics simulations

Author(s): Andrei Neamtu | Ana-Maria Oprea | Tudor Petreus | Lucian Gorgan | Cornelia Vasile
Rheological properties and solvent structure of polysaccharide hydrogels studied by molecular dynamics simulations

Author(s): Andrei Neamtu | Ana-Maria Oprea | Tudor Petreus | Lucian Gorgan | Cornelia Vasile
Accommodation of profound sequence differences at the interfaces of eubacterial RNA polymerase multi-protein assembly

Author(s): Nambudiry Rekha | Lakshmipuram Seshadri Swapna | Narayanaswamy Srinivasan*
Molecular Modeling Study of Chiral Separation and Recognition Mechanism of β-Adrenergic Antagonists by Capillary Electrophoresis

Author(s): Wuhong Li | Changhai Liu | Guangguo Tan | Xinrong Zhang | Zhenyu Zhu | Yifeng Chai
MOLECULAR DOCKING: A REVIEW

Author(s): Bachwani Mukesh | Kumar Rakesh
Comparative Computational Studies of 3,4-Dihydro-2,6-diaryl-4-oxo-pyrimidine-5-carbonitrile Derivatives as Potential Antinociceptive Agents

Author(s): Janaína V. dos Anjos | Rajendra M. Srivastava | João H. Costa-Silva | Luciana Scotti | Marcus T. Scotti | Almir G. Wanderley | Elisa Soares Leite | Sebastião J. de Melo | Francisco J. B. Mendonça Junior
Structural Modeling and Biochemical Characterization of Recombinant KPN_02809, a Zinc-Dependent Metalloprotease from Klebsiella pneumoniae MGH 78578

Author(s): Mun Teng Wong | Sy Bing Choi | Chee Sian Kuan | Siang Ling Chua | Chiat Han Chang | Yahaya Mohd Normi | Wei Cun See Too | Habibah A. Wahab | Ling Ling Few
Molecular docking studies towards exploring active sites for antiviral compound against RdRP protein of Crimean-Congo hemorrhagic fever virus

Author(s): Sitansu Kumar Verma | Ajay Kumar* | Ashish Deep Gupta | Shivam Pratap Singh Yadav
Modeling galactic extinction

Author(s): C. Cecchi-Pestellini | G. Mulas | S. Casu | M.A. Iati' | R. Saija | A. Cacciola | F. Borghese | P. Denti
Homology modeling, active site prediction, and targeting the anti hypertension activity through molecular docking on endothelin – B receptor domain

Author(s): Daddam Jayasimha Rayalu | Chandrabose Selvaraj | Nagapatla Udaya Kumar | Sanjeev Kumar Singh | Ramakrishan Ganeshan | Panthangi Seshapani
In silico modeling of ligand molecule for non structural 3 (NS3) protein target of flaviviruses

Author(s): Shefali Agnihotri | Ranjana Narula | Kaishiv Joshi | Sandeep Rana | Maneet Singh
Metabolic pathway analysis and molecular docking analysis for identification of putative drug targets in Toxoplasma gondii: novel approach

Author(s): Budhayash Gautam1 | Gurmit Singh | Gulshan Wadhwa | Rohit Farmer | Satendra Singh | Atul Kumar Singh | Prashant Ankur Jain | Pramod Kumar Yadav
RECENT DEVELOPMENTS IN MODELING OF MONITORING IN THE ANAEROBIC BIOREACTOR SYSTEM

Author(s): KATHERIN INDRIAWATI | RAHMAT ANDY SAPUTRA | AYMAN ABO JABAL | TITIK BUDIATI | TOTOK R. BIYANTO
Molecular modeling of DICER and identification of phosphorylation sites

Author(s): Priyanka Dhar* | Abhijit Datta | Sayak Ganguli
Parametric Sensitivity Studies in a Commercial FCC Unit

Author(s): Sawaran Chopra | Ajay Dalai | Deoki Saraf | Prabha K Dasila | Indranil Choudhury
Molecular Adaptation of Peanut Metabolic Pathways to Wide Variations of Mineral Ion Composition and Concentration

Author(s): Justin C. Duncan | Dwiesha Johnson | Shanique Hyllam | Godson O. Osuji | Tassine K. Brown | Sanique M. South
Incorporation of GIS Based Program into Hydraulic Model for Water Level Modeling on River Basin

Author(s): Majid Mirzaei | Hadi Memarian | Ali Haghizadeh | Lee Teang Shui
Ice Jam Modelling of the Lower Red River

Author(s): Rick Carson | Robert Harrison | Karl-Erich Lindenschmidt | Maurice Sydor
A Statistical Analysis of Intensities Estimation on the Modeling of Non-Life Insurance Claim Counting Process

Author(s): Ampai Thongteeraparp | Winai Bodhisuwan | Uraiwan Jaroengeratikun
System Dynamics Modeling of Dumpsite Leachate Control in Ogbomosoland, Nigeria

Author(s): Abimbola Y. Sangodoyin | Oluwole A. Agbede | Samson O. Ojoawo
Assessment of Impacts and Risks of Air Pollution Applying Two Strategies of Numerical Chemistry Transport Modelling

Author(s): Konstantinos Markakis | Ioannis Kioutsioukis | Hermann J. Jakobs | Michael Memmesheimer | Anastasia Poupkou | Victor Pescaru | Nikolai Miloshev | Kostadin Ganev | Dimitris Melas | Adolf Ebel | Manjola Banja | Theodoros Giannaros | Elmar Friese | Ion Sandu
Modeling of the Electrical Conductivity of Graphite Dispersions in Electrolytes

Author(s): Igor Valentinovich Prushkovsky | Evgeniya Aleksandrovna Fanina | Alexander Nikolaevich Lopanov
Numerical Modeling of the Coupled Electromagnetic and Mechanical Phenomena of Linear Stepping Motors

Author(s): M'hemed Rachek | Nacereddine Benamrouche | Mustapha Zaouia
Modeling of Antenna for Deep Target Hydrocarbon Exploration

Author(s): Muhammad Kashif | Hasnah Mohd Zaid | Afza Shafie | Noorhana Yahya | Nadeem Nasir | Majid Niaz Akhtar
Modelling Influenza Vaccination Outcomes

Author(s): Branko Vitale | Natasa Sarlija | Ljiljana Trtica-Majnaric
Determinants of airway hyperresponsiveness—balance of tonic and phasic contractility of airway smooth muscles of lobular bronchioles

Author(s): Hiroyuki Degami | Tetsuo Takada | Takahiko Nakamura | Satoshi Hara | Kyongyob Min | Keita Hosoi | Yoshinori Kinoshita
Spatio-Temporal Patterns for a Generalized Innovation Diffusion Model

Author(s): Olivier Gallay | Max-Olivier Hongler | Fariba Hashemi
Climate Change and Heavy Rainfall-Related Water Damage Insurance Claims and Losses in Ontario, Canada

Author(s): Guilong Li | Heather Auld | Chad Shouquan Cheng | Qian Li
Mechanism of Elastic Waves Reflection in Geological Media

Author(s): Michail Tarantin | Viktor Sidorov
Attenuation of P, S and Coda Waves in the NW-Himalayas, India

Author(s): K. Nagaraj | Preeti Yadav | Imtiyaz A. Parvez
Robust Region Tracking for Swarms via a Novel Utilization of Sliding Mode Control

Author(s): Rudy Cepeda-Gomez | Nejat Olgac | Mark Bacon
The Distribution of the Value of the Firm and Stochastic Interest Rates

Author(s): Duane Stock | Shengguang Qian | S. Lakshmivarahan
Forecasting Volatility of Gold Price Using Markov Regime Switching and Trading Strategy

Author(s): Bhusana Premanode | Pairote Sattayatham | Nop Sopipan
MIMO Spectral Efficiency over Energy Consumption Requirements: Application to WSNs

Author(s): Ammar Bouallègue | Kosai Raoof | Maha Ben Zid
Modeling and Simulation of Evaporative Cooling System in Controlled Environment Greenhouse

Author(s): Ninet Mohamed Ahmed | Abd El-Kader Nafeh | Faten Hosney Fahmy | Hanaa Mohamed Farghally
Temperature dependent halogen activation by N2O5 reactions on halide-doped ice surfaces

Author(s): F. D. Lopez-Hilfiker | K. Constantin | J. P. Kercher | J. A. Thornton
Current and Future Experimental Strategies for Structural Analysis of Trichothecene Mycotoxins—A Prospectus

Author(s): Roxanne A. Shank | Nora A. Foroud | Paul Hazendonk | François Eudes | Barbara A. Blackwell
Molecular Diagnosis of 5α-Reductase Type II Deficiency in Brazilian Siblings with 46,XY Disorder of Sex Development

Author(s): Flávia Leme de Calais | Fernanda Caroline Soardi | Reginaldo José Petroli | Ana Letícia Gori Lusa | Roberto Benedito de Paiva e Silva | Andréa Trevas Maciel-Guerra | Gil Guerra-Júnior | Maricilda Palandi de Mello
QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents

Author(s): Juan C. Garro Martinez | Pablo R. Duchowicz | Mario R. Estrada | Graciela N. Zamarbide | Eduardo A. Castro
Molecular System Bioenergics of the Heart: Experimental Studies of Metabolic Compartmentation and Energy Fluxes versus Computer Modeling

Author(s): Mayis Aliev | Rita Guzun | Minna Karu-Varikmaa | Tuuli Kaambre | Theo Wallimann | Valdur Saks
3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

Author(s): Mahreen Arooj | Sundarapandian Thangapandian | Shalini John | Swan Hwang | Jong Keun Park | Keun Woo Lee
Cytotoxicity patterns of arsenic trioxide exposure on HaCaT keratinocytes

Author(s): Udensi UK | Graham-Evans BE | Rogers CS | Isokpehi RD
Ionic Channels as Targets for Drug Design: A Review on Computational Methods

Author(s): Gregorio Fernández-Ballester | Asia Fernández-Carvajal | José Manuel González-Ros | Antonio Ferrer-Montiel
Evaluating Ligand-Receptor Networks of TGF- with Membrane Computing

Author(s): Ravie Chandren Muniyandi | Abdullah Mohd Zin
Combined Pharmacophore Modeling, Docking, and 3D-QSAR Studies of PLK1 Inhibitors

Author(s): Shuai Lu | Hai-Chun Liu | Ya-Dong Chen | Hao-Liang Yuan | Shan-Liang Sun | Yi-Ping Gao | Pei Yang | Liang Zhang | Tao Lu
Approaches to Manipulating the Dimensionality and Physicochemical Properties of Common Cellular Scaffolds

Author(s): Saumendra Bajpai | Na Young Kim | Cynthia A. Reinhart-King
Binary and Ternary Complexes of Arteether β-CD - Characterization, Molecular Modeling and in Vivo Studies

Author(s): Renu Chadha | Sushma Gupta | Natasha Pathak | Geeta Shukla | D.V.S. Jain | Raghuvir R S Pissurlenkar | Evans C Coutinho
Mode of interaction of calcium oxalate crystal with human phosphate cytidylyltransferase 1: a novel inhibitor purified from human renal stone matrix

Author(s): Priyadarshini Pathak | Pradeep Kumar Naik | Dipankar Sengupta | Shrawan Kumar Singh | Chanderdeep Tandon
A study of new antimalarial artemisinins through molecular modeling and multivariate analysis

Author(s): Ferreira João E.V. | Figueiredo Antonio F. | Barbosa Jardel P. | Cristino Maria G.G. | Macedo Williams J.C. | Silva Osmarina P.P. | Malheiros Bruno V. | Serra Raymony T.A. | Ciriaco-Pinheiro Jose
Improving Cry8Ka toxin activity towards the cotton boll weevil (Anthonomus grandis)

Author(s): Oliveira Gustavo | Silva Maria | Lucena Wagner | Nakasu Erich | Firmino Alexandre | Beneventi Magda | Souza Djair | Gomes José | de Souza José | Rigden Daniel | Ramos Hudson | Soccol Carlos | Grossi-de-Sa Maria
Gallus gallus NEU3 sialidase as model to study protein evolution mechanism based on rapid evolving loops

Author(s): Giacopuzzi Edoardo | Barlati Sergio | Preti Augusto | Venerando Bruno | Monti Eugenio | Borsani Giuseppe | Bresciani Roberto
Lipid rafts control P2X3 receptor distribution and function in trigeminal sensory neurons of a transgenic migraine mouse model

Author(s): Gnanasekaran Aswini | Sundukova Mayya | van den Maagdenberg Arn | Fabbretti Elsa | Nistri Andrea
Characterization of the χψ subcomplex of Pseudomonas aeruginosa DNA polymerase III

Author(s): El Houry Mignan Sirine | Witte Gregor | Naue Natalie | Curth Ute
Predicting complex quantitative traits with Bayesian neural networks: a case study with Jersey cows and wheat

Author(s): Gianola Daniel | Okut Hayrettin | Weigel Kent | Rosa Guilherme
Neoamphimedine Circumvents Metnase-Enhanced DNA Topoisomerase IIα Activity Through ATP-Competitive Inhibition

Author(s): Jessica Ponder | Byong Hoon Yoo | Adedoyin D. Abraham | Qun Li | Amanda K. Ashley | Courtney L. Amerin | Qiong Zhou | Brian G. Reid | Philip Reigan | Robert Hromas | Jac A. Nickoloff | Daniel V. LaBarbera
Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments

Author(s): Ottorino Ori | Franco Cataldo | Mihai V. Putz
Synthesis, Characterization, Acetylcholinesterase Inhibition, Molecular Modeling and Antioxidant Activities of Some Novel Schiff Bases Derived from 1-(2-Ketoiminoethyl)piperazines

Author(s): Saleh M. Salga | Hapipah M. Ali | Mahmood A. Abdullah | Siddig I. Abdelwahab | Lam Kok Wai | Michael J. C. Buckle | Sri Devi Sukumaran | A. Hamid A. Hadi
Modeling and structural analysis of evolutionarily diverse S8 family serine proteases

Author(s): Aparna Laskar | Euan James Rodger | Aniruddha Chatterjee* | Chhabinath Mandal
Catalyst Deactivation Simulation Through Carbon Deposition in Carbon Dioxide Reforming over Ni/CaO-Al2O3 Catalyst

Author(s): Istadi Istadi | Didi D. Anggoro | Nor Aishah Saidina Amin | Dorothy Hoo Wei Ling
2D QSAR studies on 1, 3-disubstituted Uracil derivatives as potential anti-HIV agents

Author(s): Trupti S. Chitre*, Kalyani D. Asgaonkar, Shital M. Patil, Hemant P. Mhaske, Rohan Bamane, M. K. Kathiravan
Prediction of the interaction of HIV-I Integrase and Raltegravir through molecular modeling approach

Author(s): Marudamuthu Balakrishnan1*, Thangaraj Sindhu2, Sundarraj Rajamanikandan2
Biochemical Characterization, Kinetic Analysis and Molecular Modeling of Recombinant Vegetative Lipoxygenases from Soybean

Author(s): George E Sellhorn | BuHyun Youn | Brian Webb | Lisa M Gloss | ChulHee Kang | Howard Grimes
Biochemical Characterization, Kinetic Analysis and Molecular Modeling of Recombinant Vegetative Lipoxygenases from Soybean

Author(s): George E Sellhorn | BuHyun Youn | Brian Webb | Lisa M Gloss | ChulHee Kang | Howard Grimes
Matrix metalloproteinase 9 polymorphism and outcome after myocardial infarction

Author(s): Sophie Rodius | Guillermo Mulliert | Francisco Azuaje | Yvan Devaux | Daniel R. Wagner
Binding of activated isoniazid with acetyl-CoA carboxylase from Mycobacterium tuberculosis

Author(s): Ameeruddin Nusrath Unissa* | Nagamiah Selvakumar | Subramanian Sudha | Sameer Hassan
Modeling the ligand specific m- and d-opioid receptor conformations

Author(s): MILAN SENĆANSKI | MILOVAN D. IVANOVIĆ | SONJA VUČKOVIĆ | LJILJANA DOŠEN-MIĆOVIĆ
Molecular modeling and chemometric study of anticancer derivatives of artemisinin

Author(s): JARDEL P. BARBOSA | JOÃO E. V. FERREIRA | ANTONIO F. FIGUEIREDO | RUTH C. O. ALMEIDA | OSMARINA P. P. SILVA | JOSÉ R. C. CARVALHO | MARIA DA G. G. CRISTINO | JOSE CIRÍACO-PINHEIRO | JOSÉ L. F. VIEIRA | RAYMONY T. A. SERRA
Probing Structural Features and Binding Mode of 3-Arylpyrimidin-2,4-diones within Housefly γ-Aminobutyric Acid (GABA) Receptor

Author(s): Qinfan Li | Lihui Zhang | Zhi Ma | Xiangya Kong | Fangfang Wang | Hong Zhang | Yonghua Wang
Fabrication, Modeling and Characterization of Multi-Crosslinked Methacrylate Copolymeric Nanoparticles for Oral Drug Delivery

Author(s): Ndidi C. Ngwuluka | Viness Pillay | Yahya E. Choonara | Girish Modi | Dinesh Naidoo | Lisa C. du Toit | Pradeep Kumar | Valence M.K. Ndesendo | Riaz A. Khan
Investigation on Quantitative Structure Activity Relationships and Pharmacophore Modeling of a Series of mGluR2 Antagonists

Author(s): Meng-Qi Zhang | Xiao-Le Zhang | Yan Li | Wen-Jia Fan | Yong-Hua Wang | Ming Hao | Shu-Wei Zhang | Chun-Zhi Ai
Homology modeling of human serum paraoxonase1 and its molecular interaction studies with aspirin and cefazolin

Author(s): Mohammed Salman | Elizabeth A Frank | Chandramouli Malleda | Narayanavari A Suneel | Insaf A Qureshi | Cletus JM D’Souza*
Modeling the effector - regulatory T cell cross-regulation reveals the intrinsic character of relapses in Multiple Sclerosis

Author(s): Vélez de Mendizábal Nieves | Carneiro Jorge | Solé Ricard | Goñi Joaquín | Bragard Jean | Martinez-Forero Ivan | Martinez-Pasamar Sara | Sepulcre Jorge | Torrealdea Javier | Bagnato Francesca | Garcia-Ojalvo Jordi | Villoslada Pablo
Modeling measurement error in tumor characterization studies

Author(s): Rakovski Cyril | Weisenberger Daniel | Marjoram Paul | Laird Peter | Siegmund Kimberly
Efficient 1H-NMR Quantitation and Investigation of N-Acetyl-D-glucosamine (GlcNAc) and N,N'-Diacetylchitobiose (GlcNAc)2 from Chitin

Author(s): Fu-Chien Liu | Chung-Ren Su | Tzi-Yi Wu | Shyh-Gang Su | Huey-Lang Yang | John Han-You Lin | Tian-Shung Wu
Carbon isotopes and lipid biomarker investigation of sources, transport and degradation of terrestrial organic matter in the Buor-Khaya Bay, SE Laptev Sea

Author(s): E. S. Karlsson | A. Charkin | O. Dudarev | I. Semiletov | J. E. Vonk | L. Sánchez-García | A. Andersson | Ö. Gustafsson
Insilico functional domain characterisation and phylogenetic analysis of alpha 2 macroglobulin related molecule (α2m_so) from spongia officinalis

Author(s): Murugesan Sivagama Sundari | Muthukrishnan Anantha Barathi , ST Somasundaram , Chellam Rajamanickam
Homology modeling and structure prediction of thioredoxin (TRX) protein in wheat (Triticum aestivum L.)

Author(s): M. Prabhavathi 1 , K. Ashokkumar 2* , N. Geetha 1 , K.M. Saradha Devi 3
Molecular modeling of human neutral sphingomyelinase provides insight into its molecular interactions

Author(s): Dinesh | Angshumala Goswami | Panneer Selvam Suresh | Muthuvel Suresh Kumar* | Chinnasamy Thirunavukkarasu | Oliver H Weiergräber
Eudesmanolides and other terpenoids from Trattinickia rhoifolia

Author(s): Carmelo Rosquete | Esther Del Olmo | José M. Miguel Del Corral | José L. López | Marina Gordaliza | Arturo San Feliciano
Caracterización de una delta endotoxina mutante de Bacillus thuringiensis con estabilidad y toxicidad aumentadas

Author(s): Syed Rehan A. Hussain | Flórez Álvaro M. | Osorio Cristina | Dean Donald H. | Alzate Óscar
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