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Physical Chemistry Chemical Physics : PCCP|November 2, 2018
DFT studies on quantum mechanical tunneling in tautomerization of three-membered ringsKalyanashis Jana, Bishwajit GangulyACS Omega|August 29, 2019
DFT Study To Explore the Importance of Ring Size and Effect of Solvents on the Keto-Enol Tautomerization Process of α- and β-CyclodionesKalyanashis Jana, Bishwajit GangulyThe Journal of Physical Chemistry. A|September 20, 2014
In silico studies to explore the mutagenic ability of 5-halo/oxy/li-oxy-uracil bases with guanine of DNA base pairsKalyanashis Jana, 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 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 GangulyACS Omega|August 29, 2019
Probing the Structural and Electronic Effects on the Origin of π-Facial Stereoselectivity in 1-Methylphosphole 1-Oxide Cycloadditions and CyclodimerizationSurjit Bhai, Kalyanashis Jana, Bishwajit GangulyThe Journal of Physical Chemistry. B|December 8, 2023
Antibiotic Charge Profile Determines the Extent of L3 Dynamics in OmpF: An Expedited Passage for Molecules with a Positive ChargeAbhishek Acharya, Kalyanashis Jana, Ulrich KleinekathöferJournal of Molecular Graphics & Modelling|October 22, 2017
Designed inhibitors with hetero linkers for gastric proton pump H+,K+-ATPase: Steered molecular dynamics and metadynamics studiesKalyanashis Jana, Tusar Bandyopadhyay, 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 3