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Biochemistry|November 18, 2020
Exploring the Mechanism of Covalent Inhibition: Simulating the Binding Free Energy of α-Ketoamide Inhibitors of the Main Protease of SARS-CoV-2Dibyendu Mondal, Arieh WarshelJournal of the American Chemical Society|August 6, 2025
The Action of Plastic Degrading Enzyme Is Accelerated Mainly Due to an Increase in Thermal Stability Rather Than by an Inherent Catalytic EffectAshim Nandi, Arieh WarshelThe Journal of Physical Chemistry. B|May 1, 2009
Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effectsNidhi Singh, Arieh WarshelProteins|March 5, 2004
Why does the Ras switch "break" by oncogenic mutations?Avital Shurki, Arieh WarshelBiophysical Journal|December 4, 2003
What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposalsAnton Burykin, Arieh WarshelThe Journal of Physical Chemistry. B|January 2, 2008
Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mappingYun Xiang, Arieh WarshelJournal of the American Chemical Society|December 29, 2022
Analyzing the Reaction of Orotidine 5'-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic ProposalsMojgan Asadi, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|March 14, 2018
EF-Tu and EF-G are activated by allosteric effectsDibyendu Mondal, Arieh WarshelThe Journal of Physical Chemistry. B|December 31, 2015
A Microscopic Capacitor Model of Voltage Coupling in Membrane Proteins: Gating Charge Fluctuations in Ci-VSDIlsoo Kim, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|July 1, 2016
Analyzing the electrogenicity of cytochrome c oxidaseIlsoo Kim, Arieh WarshelPageof 22