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The Journal of Physical Chemistry. B|January 28, 2022
Unraveling the Role of π-Stacking Interactions in Ligand Binding to the Thiamine Pyrophosphate Riboswitch with High-level Quantum Chemical Calculations and Docking StudyPadmaja D Wakchaure, Bishwajit GangulyDalton Transactions (Cambridge, England : 2003)|March 13, 2023
Metal ion-decorated hexasilaprismane and its derivative as a molecular container for the separation of CO<sub>2</sub> from flue gas molecules: a computational studyPadmaja D Wakchaure, Bishwajit GangulyPhysical Chemistry Chemical Physics : PCCP|June 8, 2019
Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation studyShibaji Ghosh, Kalyanashis Jana, Bishwajit GangulyThe Journal of Physical Chemistry. B|May 10, 2018
Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT StudyKalyanashis Jana, Tusar Bandyopadhyay, Bishwajit GangulyLangmuir : the ACS Journal of Surfaces and Colloids|April 14, 2007
Computational study of urea and its homologue glycinamide: conformations, rotational barriers, and relative interactions with sodium chlorideAjeet Singh, Shampa Chakraborty, Bishwajit GangulyJournal of Molecular Graphics & Modelling|October 27, 2009
First principle study towards the influence of Cd2+ on the morphology of sodium chlorideAjeet Singh, Anik Sen, Bishwajit GangulyThe Journal of Physical Chemistry. B|December 20, 2016
Revealing the Mechanistic Pathway of Acid Activation of Proton Pump Inhibitors To Inhibit the Gastric Proton Pump: A DFT StudyKalyanashis Jana, Tusar Bandyopadhyay, Bishwajit GangulyPlos One|July 19, 2012
Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesteraseVivek Sinha, Bishwajit Ganguly, Tusar BandyopadhyayJournal of Molecular Graphics & Modelling|October 8, 2013
Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: a computational studyRajesh Patidar, Parimal Paul, Bishwajit GangulyJournal of Computer-Aided Molecular Design|July 8, 2018
Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studiesShibaji Ghosh, Kalyanashis Jana, Bishwajit GangulyPageof 13