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Journal of Molecular Graphics & Modelling|June 21, 2008
Structural basis for ligand recognition at the benzodiazepine binding site of GABAA alpha 3 receptor, and pharmacophore-based virtual screening approachR S K Vijayan, Nanda GhoshalJournal of Molecular Modeling|February 23, 2010
Probing the structure of Leishmania donovani chagasi DHFR-TS: comparative protein modeling and protein-ligand interaction studiesLakshmi Maganti, Prabu Manoharan, Nanda GhoshalExpert Opinion on Drug Discovery|July 25, 2012
Pharmacophore models for GABA(A) modulators: implications in CNS drug discoveryNanda Ghoshal, R Suyambu Kesava VijayanJournal of Molecular Modeling|July 28, 2010
Exploring the structure of opioid receptors with homology modeling based on single and multiple templates and subsequent docking: a comparative studyIndrani Bera, Aparna Laskar, Nanda GhoshalJournal of Biomolecular Structure & Dynamics|January 14, 2017
Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding propertyPrabu Manoharan, Kiranmai Chennoju, Nanda GhoshalMolecular Biosystems|May 1, 2015
Target specific proteochemometric model development for BACE1 - protein flexibility and structural water are critical in virtual screeningPrabu Manoharan, Kiranmai Chennoju, Nanda GhoshalJournal of Molecular Graphics & Modelling|September 18, 2016
Integration of ligand and structure based approaches for identification of novel MbtI inhibitors in Mycobacterium tuberculosis and molecular dynamics simulation studiesLakshmi Maganti, Pradeep Grandhi, Nanda GhoshalJournal of Molecular Graphics & Modelling|February 16, 2010
Why pyridine containing pyrido[2,3-d]pyrimidin-7-ones selectively inhibit CDK4 than CDK2: insights from molecular dynamics simulationNahren Manuel Mascarenhas, Dhananjay Bhattacharyya, Nanda GhoshalJournal of Molecular Modeling|August 19, 2011
In silico quest for putative drug targets in Helicobacter pylori HPAG1: molecular modeling of candidate enzymes from lipopolysaccharide biosynthesis pathwayMunmun Sarkar, Lakshmi Maganti, Nanda Ghoshal, et al.Journal of Chemical Information and Modeling|April 12, 2007
Exploration of rate-limiting conformational state for 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl][1,1'-biphenyl]-2-ols and N(omega)-oxides (tebuquine analogues) for antimalarial activity using molecular shape analysis and molecular field analysis studiesPooja Sharma, Sandeep Chhabra, Nitin Rai, et al.Pageof 5