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Physical Chemistry Chemical Physics : PCCP|December 20, 2021
Deciphering the mechanism of action of 5FDQD and the design of new neutral analogues for the FMN riboswitch: a well-tempered metadynamics simulation studyPadmaja D Wakchaure, Bishwajit GangulyChemico-Biological Interactions|June 11, 2013
A first principles investigation of aging processes in soman conjugated AChENellore Bhanu Chandar, Bishwajit GangulyJournal of Molecular Graphics & Modelling|September 20, 2024
The role of linkers and frustrated lewis pairs catalysts in the formation of zwitterionic 1,2-anti-addition product with non-conjugated terminal diacetylenes: A computational studyTulsi R Patel, Bishwajit GangulyWiley Interdisciplinary Reviews. RNA|January 3, 2023
Exploring the structure, function of thiamine pyrophosphate riboswitch, and designing small molecules for antibacterial activityPadmaja D Wakchaure, Bishwajit GangulyJournal of Molecular Graphics & Modelling|February 5, 2021
Molecular level insights into the inhibition of gene expression by thiamine pyrophosphate (TPP) analogs for TPP riboswitch: A well-tempered metadynamics simulations studyPadmaja D Wakchaure, Bishwajit GangulyJournal of Computational Chemistry|February 18, 2020
Probing the bent bonds in cyclopropane systems for gas storage and separation process: A computational studyPadmaja D Wakchaure, Bishwajit GangulyJournal of Molecular Graphics & Modelling|March 1, 2022
Exploring the metal-free catalytic reduction of CO<sub>2</sub> to methanol with saturated adamantane scaffolds of phosphine-borane frustrated Lewis pair: A DFT studyTulsi R Patel, Bishwajit GangulyChemistry (Weinheim an Der Bergstrasse, Germany)|December 1, 2016
Revealing Germylene Compounds to Attain Superbasicity with Sigma Donor Substituents: A Density Functional Theory StudyAbul Kalam Biswas, Bishwajit GangulyJournal of Molecular Graphics & Modelling|October 23, 2012
In silico studies toward the recognition of fluoride ion by substituted borazinesManoj K Kesharwani, Bishwajit GangulyJournal of Computational Chemistry|April 13, 2011
Probing the structural and electronic effects to stabilize nonplanar forms of thioamide derivatives: a computational studyManoj K Kesharwani, Bishwajit GangulyPageof 13