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Homology modeling and MD simulation of the CdtB of Helicobacter hepaticus ATCC 51449

Author(s): Uttam Kumar Mondal | Arnab Sen | Asim Kumar Bothra
in silico structural characterization of Mycobacterium tuberculosis H37Rv UDP-N-acetylmuramate dehydrogenase

Author(s): B Babajan | C M Anuradha | M Chaitanya | D Gowsia | Suresh Kumar Chitta
Rupintrivir is a promising candidate for treating severe cases of Enterovirus-71 infection

Author(s): Xiao-Nan Zhang, Zhi-Gang Song, Ting Jiang, Bi-Sheng Shi, Yun-Wen Hu, Zheng-Hong Yuan
LeishBase: Leishmania major structural database

Author(s): Simranjeet Kaur | Hitesh Patel | Virag Sharma | Prabha Garg | Nilanjan Roy
Homology in Electromagnetic Boundary Value Problems

Author(s): Matti Pellikka | Saku Suuriniemi | Lauri Kettunen
Theoretical Investigations on Structure and Function of Human Homologue hABH4 of E.coli ALKB4

Author(s): Shankaracharya | Saibal Das | Dinesh Prasad | Ambarish Sharan Vidyarthi
Stabilization of the Single-Chain Fragment Variable by an Interdomain Disulfide Bond and Its Effect on Antibody Affinity

Author(s): Jian-Xin Zhao | Lian Yang | Zhen-Nan Gu | Hai-Qin Chen | Feng-Wei Tian | Yong-Quan Chen | Hao Zhang | Wei Chen
An Insight into Structural and Functional Characteristics of Plasmodium falciparum Farnesyltransferase (PfFT) 3d7: Comparative Modeling and Docking Studies

Author(s): Pradeep Kumar M | Kranthi Raj.K | D. Ramachandran | Pavan Kumar MNS | Radha Vaddavalli | P. Jhansi lakshmi
In silico Analysis of Genetic Diversity of Begomovirus using Homology Modelling

Author(s): R. Prajapat | R.K. Gaur | R. Raizada | V.K. Gupta
INSILICO MODELING AND DOCKING STUDIES OF NEW DELHI METALLO BETA LACTAMASE-1 (SUPER BUG)

Author(s): DR. JAYASREE GANUGAPATI, | SIRISHA V. MUKKAVALLI, | SAHITHI ATIMAMULA, | DR.K.S.R.SIVA SAI
Exposure of beta-tubulin regions defined by antibodies on an Arabidopsis thaliana microtubule protofilament model and in the cells

Author(s): Blume Yaroslav | Yemets Alla | Sheremet Yarina | Nyporko Alexey | Sulimenko Vadym | Sulimenko Tetyana | Dráber Pavel
The Puf family of RNA-binding proteins in plants: phylogeny, structural modeling, activity and subcellular localization

Author(s): Tam Patrick | Barrette-Ng Isabelle | Simon Dawn | Tam Michael | Ang Amanda | Muench Douglas
POLG1 p.R722H mutation associated with multiple mtDNA deletions and a neurological phenotype

Author(s): Komulainen Tuomas | Hinttala Reetta | Kärppä Mikko | Pajunen Leila | Finnilä Saara | Tuominen Hannu | Rantala Heikki | Hassinen Ilmo | Majamaa Kari | Uusimaa Johanna
Structure-function relationships of wheat flavone O-methyltransferase: Homology modeling and site-directed mutagenesis

Author(s): Zhou Jian-Min | Lee Eunjung | Kanapathy-Sinnaiaha Francesca | Park Younghee | Kornblatt Jack | Lim Yoongho | Ibrahim Ragai
Molecular Modeling of a Predominant β-CGTase G1 and Analysis of Ionic Interaction in CGTase

Author(s): Kian Mau Goh | Nor Muhammad Mahadi | Osman Hassan | Raja Noor Zaliha Raja Abdul Rahman | Rosli Md. Illias
Comparative modeling of CDP-diacylglycerol-serine O-phosphatidyl transferase in Clostridium botulinum: A potent target of Botulism

Author(s): Koteswara Reddy G. | Mohan Kalyan Reddy K. | Nagamalleswara Rao K. | Gyana R.Satpathy
Ayur-informatics: Establishing an in-silico-ayurvedic medication for Alzheimer’s disease

Author(s): Mohini Gore | Preenon Bagchi | Desai N.S. | Ajit Kar
Conformation analysis of homology model of human merlin

Author(s): Sivakumar K.C. | Vidhya Ramaswamy
Comparative modeling of Undecaprenyl pyrophosphate phosphatase in Clostridium botulinum - a potent target of Botulism

Author(s): Koteswara Reddy G. | Kaleswara Rao M. | Nagamalleswara Rao K. | Gyana R.Satpathy
A mutational analysis and molecular dynamics simulation of quinolone resistance proteins QnrA1 and QnrC from Proteus mirabilis

Author(s): Guo Qinglan | Weng Jingwei | Xu Xiaogang | Wang Minghua | Wang Xiaoying | Ye Xinyu | Wang Wenning | Wang Minggui
Molecular determinants of improved cathepsin B inhibition by new cystatins obtained by DNA shuffling

Author(s): Valadares Napoleão | Dellamano Márcia | Soares-Costa Andrea | Henrique-Silva Flávio | Garratt Richard
The Novel Therapeutic Approaches of Breast Cancer Treatment by Inhibition of DNA Damage Signaling Pathways in erbb2 Gene

Author(s): Venkatesan Suba | Ravichandiran V | Arun Kumar Kuna, | Ranga Mahendranath
Comparative Molecular Modeling of Insect Glutathione S- Transferase

Author(s): S.K.M. Habeeb | Dr. V. Anuradha | A. Praveena
Inhibition of IgE Activity to Bind its High Affinity Receptor (FcεRIα) by Mouse Anti-IgE Ce3~4 Monoclonal Antibody (QME5)

Author(s): Chun Xia Qiao | Ming Lv | Lei Ming Guo | Ming Yu | Yan Li | Zhou Lin | Xiao Li Hua | Chun Mei Hou | Jian Nan Feng | Bei Fen Shen
Symbiotic Nitrogen Fixation-A Bioinformatics Perspective

Author(s): S. Sur | A.K. Bothra | A. Sen
A quality metric for homology modeling: the H-factor

Author(s): di Luccio Eric | Koehl Patrice
Identification and characterization of a bacterial glutamic peptidase

Author(s): Jensen Kenneth | Østergaard Peter | Wilting Reinhard | Lassen Søren
HOMOLOGY MODELLING AND SEQUENCE ANALYSIS OF anxC3.1

Author(s): Patchikolla Sateesh | Prof. Allam Appa Rao, | Suresh Kumar Sangeeta | M.Naresh Babu, | R.S. Datta Teja Grandhi
Human Nek6 is a monomeric mostly globular kinase with an unfolded short N-terminal domain

Author(s): Meirelles Gabriela | Silva Júlio | Mendonça Yuri | Ramos Carlos | Torriani Iris | Kobarg Jörg
Compartive Modeling of Human Siglec-8 Membrane Protein

Author(s): Shagunbansali Shagunbansali | Sreenivas Enaganti | Saritha Devaraju | Harikrishna N | Vijay H | Vamsee K | Laxman R | Ramesh S
The Evaluation of Neuraminidase Type 2 Models

Author(s): Sigit Jaya Herlambang | Rosari Saleh
Accommodation of profound sequence differences at the interfaces of eubacterial RNA polymerase multi-protein assembly

Author(s): Nambudiry Rekha | Lakshmipuram Seshadri Swapna | Narayanaswamy Srinivasan*
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
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
Molecular modeling of DICER and identification of phosphorylation sites

Author(s): Priyanka Dhar* | Abhijit Datta | Sayak Ganguli
Functional analysis and structure determination of alkaline protease from Aspergillus flavus

Author(s): Rabbani Syed | Roja Rani | Sabeena | Tariq Ahmad Masoodi | Gowher Shafi | Khalid Alharbi
Homology modeling of dihydroorotase in Plasmodium falciparum

Author(s): Rajesh Sharma*, Anupama Parate and Abhishek Tiwari
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
Mouse 11β-Hydroxysteroid Dehydrogenase Type 2 for Human Application: Homology Modeling, Structural Analysis and Ligand-Receptor Interaction

Author(s): Hideaki Yamaguchi | Tatsuo Akitaya | Yumi Kidachi | Katsuyoshi Kamiie | Toshiro Noshita | Hironori Umetsu | Kazuo Ryoyama
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
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
Applications of graph theory in protein structure identification

Author(s): Yan Yan | Zhang Shenggui | Wu Fang-Xiang
Characterization of the χψ subcomplex of Pseudomonas aeruginosa DNA polymerase III

Author(s): El Houry Mignan Sirine | Witte Gregor | Naue Natalie | Curth Ute
Homology in Electromagnetic Boundary Value Problems

Author(s): Pellikka Matti | Suuriniemi Saku | Kettunen Lauri
Modeling and structural analysis of evolutionarily diverse S8 family serine proteases

Author(s): Aparna Laskar | Euan James Rodger | Aniruddha Chatterjee* | Chhabinath Mandal
Prediction of the interaction of HIV-I Integrase and Raltegravir through molecular modeling approach

Author(s): Marudamuthu Balakrishnan1*, Thangaraj Sindhu2, Sundarraj Rajamanikandan2
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
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*
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
AlignHUSH: Alignment of HMMs using structure and hydrophobicity information

Author(s): Krishnadev Oruganty | Srinivasan Narayanaswamy
Computer aided screening of inhibitors to 5-a reductase type 2 for prostate cancer

Author(s): Biplab Bhattacharjee | Usha Talambedu | Saremy Sadegh | Arvind Kumar Goyal | Veena Pande | Madhugiri Bhujangarao Nagaveni | Vijayakumari Mali Patil | Joshi Jayadev | Sushil Kumar Middha
Structure prediction and functional characterization of secondary metabolite proteins of Ocimum

Author(s): Sudeep Roy | Nidhi Maheshwari | Rashi Chauhan | Naresh Kumar Sen | Ashok Sharma
Identification of membrane associated drug targets in Borrelia burgdorferi ZS7- subtractive genomics approach

Author(s): Shivkumar Madagi | Vijayakumari Mali Patil | Saremy Sadegh | Abhishek Kumar Singh | Bhavana Garwal | Atreyi Banerjee | Usha Talambedu | Biplab Bhattacharjee
Homology modeling of Ferredoxin-nitrite reductase from Arabidopsis thaliana

Author(s): Karim Kherraz | Khaled Kherraz | Abdelkrim Kameli
Modeling and phylogeny analysis of bread wheat MnSOD

Author(s): Sonia Sheoran | Rajender Singh | Bharati Pandey | Pradeep Sharma | Ravish Chatrath
Molecular modeling of human alkaline sphingomyelinase

Author(s): Panneer Selvam Suresh | Olujide Olubiyi | Chinnasamy Thirunavukkarasu | Birgit Strodel | Muthuvel Suresh Kumar
Comparative modeling and genomics for galactokinase (Gal1p) enzyme

Author(s): Ashwani Sharma | Pushkar Malakar
Structure modeling and inhibitor prediction of NADP oxidoreductase enzyme from Methanobrevibacter smithii

Author(s): Ashwani Sharma | Prem Prashant Chaudhary | Sunil Kumar Sirohi | Jyoti Saxena
Insights from molecular modeling and dynamics simulation of pathogen resistance (R) protein from brinjal

Author(s): Dipty Shrivastava | Vikrant Nain | Shakti Sahi | Anju Verma | Prakash Chand Sharma | Priyanka Sharma | Polumetla Ananda Kumar
Sequence analysis and homology modeling of laccase from Pycnoporus cinnabarinus

Author(s): Rohan J Meshram | A J Gavhane | T S Bansode | A K Gupta | S K Sohni | A U Maskar | M A Patidar | R B Gaikar | T R Pandey | S N Jangle
Structure prediction and molecular simulation of gases diffusion pathways in hydrogenase

Author(s): Shanthy Sundaram | Ashutosh Tripathi | Vipul Gupta
A ClpP protein model as tuberculosis target for screening marine compounds

Author(s): Abhilasha Tiwari | Smita Gupta | Shipra Srivastava | Rajeev Srivastava | Anil Kumar Rawat
Isolation, characterization and structural studies of amorpha – 4, 11-diene synthase (ADS3963) from Arte a L. misia annu

Author(s): Pravej Alam | Usha Kiran2 | M. Mobeen Ahmad | Kamaluddin3 | Mather Ali Khan4 | Shalu Jhanwar M. Z. Abdin
Function inferences from a molecular structural model of bacterial ParE toxin

Author(s): Luiz Carlos Bertucci Barbosa | Saulo Santesso Garrido | Anderson Garcia | Reinaldo Marchetto | Davi Barbosa Delfino
Modeling of pyruvate decarboxylases from ethanol producing bacteria

Author(s): Anjala Shrestha | Srisuda Dhamwichukorn | Ekachai Jenwitheesuk
A modeled structure for amidase-03 from Bacillus anthracis

Author(s): Ravi Datta Sharma | Pradeep Kumar Sharma | Nabajyoti Goswami | Andrew M. Lynn | Rajnee | Safdar Jawaid
Identification and modeling of a drug target for Clostridium perfringens SM101

Author(s): Gagan Chhabra | Avishek Anant | Sachin Deshmukh | Himani Kaushik | Pramila Sharma | Keshav Gopal | Nutan Srivastava | Lalit C. Garg
Model based design of inhibitors for c-jun

Author(s): Pallavi Chauhan 1 | Madhvi Shakya
Insight to pyrazinamide resistance in Mycobacterium tuberculosis by molecular docking

Author(s): A. Nusrath Unissa | N. Selvakumar | Sameer Hassan
An in silico approach to primaquine binding to Trp756 in the external vestibule of sodium channel Nav 1.4

Author(s): Scior TF | Islas AA | Martínez-Morales E | Cuanalo-Contreras K | Millan-Perezpeña L | Salinas-Stefanón EM
Three-Dimensional Structure of Arabidopsis thaliana Lipase Predicted by Homology Modeling Method

Author(s): Abdelmonaem Messaoudi | Hatem Belguith | Jeannette Ben Hamida
Design, modeling, expression, and chemoselective PEGylation of a new nanosize cysteine analog of erythropoietin

Author(s): Ahangari Cohan R | Madadkar-Sobhani A | Khanahmad H | Roohv | F | Aghasadeghi MR | Hedayati MH | Barghi Z | Shafiee Ardestani M | Nouri Inanlou D | Norouzian D
PIP Aquaporin Protein of Durum Wheat, Homology Modelling and 3D Structure Analysis

Author(s): a,b Kherraz Khaled *, | a,b Kherraz karim, | a,b Ounissi Mourad, | a,b Kameli Abdekarim, | a,b Redouane Nouredine
New Generation Novel Drugs Designed For Type 2 Diabetes By Insilico Computational Methods which block IRS4

Author(s): Thanigaivelan 1 | Sampoornam Balakrishnan 2 | Karpagam Veerappan 3 | Rasappan Periannan 4 | Shila Samuel*5
Homology modeling of an antifungal metabolite plipastatin synthase from the bacillus subtilis 168

Author(s): Maria Batool | Fauzia Yusuf Hafeez* | Muhammad Nadeem Hassan | Mohammad Hassan Khalid
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