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Biochemistry|May 2, 2007
The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energiesHanbin Liu, Arieh WarshelFEBS Letters|July 15, 2004
On the origin of the electrostatic barrier for proton transport in aquaporinAnton Burykin, Arieh WarshelProteins|February 27, 2010
A comprehensive examination of the contributions to the binding entropy of protein-ligand complexesNidhi Singh, Arieh WarshelThe Journal of Physical Chemistry. B|August 24, 2016
Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM RegionGarima Jindal, Arieh WarshelPhotosynthesis Research|July 5, 2017
The FOF1 ATP synthase: from atomistic three-dimensional structure to the rotary-chemical functionShayantani Mukherjee, Arieh WarshelJournal of Chemical Information and Modeling|August 4, 2025
Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric ModulatorsAlejandro Cruz, Arieh WarshelBiochemistry|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 WarshelProteins|July 12, 2019
A free-energy landscape for the glucagon-like peptide 1 receptor GLP1RRaphael Alhadeff, 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 WarshelPageof 22