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Journal of Biomolecular Structure & Dynamics|June 16, 2017
Fragment-based virtual screening approach and molecular dynamics simulation studies for identification of BACE1 inhibitor leadsPrabu Manoharan, Nanda GhoshalJournal of Chemical Information and Modeling|July 25, 2006
Exploration of a binding mode of benzothiazol-2-yl acetonitrile pyrimidine core based derivatives as potent c-Jun N-terminal kinase-3 inhibitors and 3D-QSAR analysesPooja Sharma, Nanda GhoshalJournal of Biomolecular Structure & Dynamics|January 15, 2014
3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosisLakshmi Maganti, , Nanda GhoshalMolecular Diversity|August 15, 2012
Rationalizing lead optimization by consensus 2D- CoMFA CoMSIA GRIND (3D) QSAR guided fragment hopping in search of γ-secretase inhibitorsPrabu Manoharan, Nanda GhoshalJournal of Molecular Graphics & Modelling|January 22, 2010
Deciphering ligand dependent degree of binding site closure and its implication in inhibitor design: A modeling study on human adenosine kinaseSavita Bhutoria, Nanda GhoshalEuropean Journal of Medicinal Chemistry|November 27, 2007
An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation--a case study with CDK2/cyclinANahren Manuel Mascarenhas, Nanda GhoshalBioorganic & Medicinal Chemistry Letters|December 20, 2003
3-D-QSAR of N-substituted 4-amino-3,3-dialkyl-2(3H)-furanone GABA receptor modulators using molecular field analysis and receptor surface modelling studyNanda Ghoshal, Prasenjit K MukherjeeJournal of Chemical Information and Modeling|June 21, 2008
Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibitionNahren Manuel Mascarenhas, Nanda GhoshalBioorganic & Medicinal Chemistry Letters|June 15, 2007
A computational docking study for prediction of binding mode of diospyrin and derivatives: Inhibitors of human and leishmanial DNA topoisomerase-ISandeep Chhabra, Pooja Sharma, Nanda GhoshalBioinformatics and Biology Insights|August 2, 2016
Molecular Shape Analysis-Guided Virtual Screening Platform for Adenosine Kinase InhibitorsSavita Bhutoria, Ballari Das, Nanda GhoshalPageof 5