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Journal of Molecular Modeling|July 13, 2011
Deciphering the binding mode of Zolpidem to GABA(A) α₁ receptor - insights from molecular dynamics simulationR S K Vijayan, Dhananjay Bhattacharyya, Nanda GhoshalJournal of Computer-Aided Molecular Design|August 27, 2010
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studiesPrabu Manoharan, R S K Vijayan, Nanda GhoshalJournal of Biomolecular Structure & Dynamics|March 27, 2013
Probing the structure of Mycobacterium tuberculosis MbtA: model validation using molecular dynamics simulations and docking studiesLakshmi Maganti, Open Source Drug Discovery Consortium, Nanda GhoshalJournal of Biomolecular Structure & Dynamics|September 16, 2015
Capturing state-dependent dynamic events of GABAA-receptors: a microscopic look into the structural and functional insightsPavan V Payghan, Indrani Bera, Dhananjay Bhattacharyya, et al.Molecular Informatics|July 29, 2016
Deciphering the Structural Requirements of Nucleoside Bisubstrate Analogues for Inhibition of MbtA in Mycobacterium tuberculosis: A FB-QSAR Study and Combinatorial Library Generation for Identifying Potential HitsLakshmi Maganti, Sanjit Kumar Das, Nahren Manuel Mascarenhas, et al.BMC Research Notes|November 18, 2014
In silico work flow for scaffold hopping in LeishmaniaBarnali Waugh, Ambarnil Ghosh, Dhananjay Bhattacharyya, et al.Journal of Biomolecular Structure & Dynamics|January 11, 2017
Identification of novel hits as highly prospective dual agonists for mu and kappa opioid receptors: an integrated in silico approachIndrani Bera, Mrinal Vishwas Marathe, Pavan V Payghan, et al.Journal of Biomolecular Structure & Dynamics|January 5, 2019
Cross-talk between allosteric and orthosteric binding sites of γ-amino butyric acid type A receptors (GABAA-Rs): A computational study revealing the structural basis of selectivityPavan V Payghan, Sudipendra Nath Roy, Dhananjay Bhattacharyya, et al.Journal of Photochemistry and Photobiology. B, Biology|June 13, 2016
Structural and thermodynamic analysis of the binding of tRNA(phe) by the putative anticancer alkaloid chelerythrine: Spectroscopy, calorimetry and molecular docking studiesPritha Basu, Pavan V Payghan, Nanda Ghoshal, et al.The Journal of Physical Chemistry. B|October 30, 2014
Binding of the iminium and alkanolamine forms of sanguinarine to lysozyme: spectroscopic analysis, thermodynamics, and molecular modeling studiesChandrima Jash, Pavan V Payghan, Nanda Ghoshal, et al.Pageof 5