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Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 27, 2018
Effect of pH on the hinge region of influenza viral protein: a combined constant pH and well-tempered molecular dynamics studyArup Kumar PathakThe Journal of Physical Chemistry. A|December 16, 2016
An ab Initio Study on the Structure, Energetics, and Spectra of Cl-···(CO2)n ClustersArup Kumar PathakThe Journal of Chemical Physics|July 12, 2012
A theoretical study on structures, energetics, and spectra of Br-.nCO2 clusters: towards bridging the gap between micro-domain and macro-domainArup Kumar PathakJournal of Chemical Theory and Computation|March 9, 2019
Temperature Induced Dynamical Transition of Biomolecules in Polarizable and Nonpolarizable TIP3P WaterArup Kumar Pathak, Tusar BandyopadhyayPhysical Chemistry Chemical Physics : PCCP|February 7, 2017
Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics studyArup Kumar Pathak, Tusar BandyopadhyayBiopolymers|August 14, 2015
Ortho-7 bound to the active-site gorge of free and OP-conjugated acetylcholinesterase: cation-π interactionsArup Kumar Pathak, Tusar BandyopadhyayJournal of Biomolecular Structure & Dynamics|August 30, 2021
Heat-induced transitions of an empty minute virus of mice capsid in explicit water: all-atom MD simulationArup Kumar Pathak, Tusar BandyopadhyayJournal of Biomolecular Structure & Dynamics|September 13, 2022
Binding of human serum albumin with uranyl ion at various pH: an all atom molecular dynamics studyVijayakriti Mishra, Arup Kumar Pathak, Tusar BandyopadhyayThe Journal of Organic Chemistry|May 27, 2026
Organocatalyst-Controlled Highly α'-Selective Deuteration and α,α'-Deuteration of EnonesPooja Goyal, Raghunath Chowdhury, Arup Kumar PathakChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 28, 2009
Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing studyArup Kumar Pathak, Tulsi Mukherjee, Dilip Kumar MaityPageof 2