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Proceedings of the National Academy of Sciences of the United States of America|March 3, 2015
Dissecting the role of the γ-subunit in the rotary-chemical coupling and torque generation of F1-ATPaseShayantani Mukherjee, Arieh WarshelACS Catalysis|September 10, 2025
Decoding Enzymatic Dechlorination with Multiscale Modeling: Mechanistic Insights into Native Haloalkane Dehalogenase from Xanthobacter autotrophicus and Its Designed VariantsNatalia Gelfand, Arieh WarshelProteins|November 2, 2023
Energetic and structural insights behind calcium induced conformational transition in calmodulinRitaban Halder, Arieh WarshelThe Journal of Physical Chemistry. B|September 15, 2010
Renormalizing SMD: the renormalization approach and its use in long time simulations and accelerated PMF calculations of macromoleculesAnatoly Dryga, Arieh WarshelProteins|September 15, 2017
Misunderstanding the preorganization concept can lead to confusions about the origin of enzyme catalysisGarima Jindal, Arieh WarshelJournal of Chemical Theory and Computation|January 19, 2013
On the Origins of the Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in S(N)2 ReactionsEdina Rosta, Arieh WarshelThe Journal of Physical Chemistry. B|September 23, 2016
Simulating the Function of the MjNhaP1 TransporterRaphael Alhadeff, Arieh WarshelProteins|February 27, 2010
Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactionsNidhi Singh, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|October 10, 2013
Electrostatic origin of the unidirectionality of walking myosin V motorsShayantani Mukherjee, Arieh WarshelProteins|September 13, 2011
Simulating electrostatic energies in proteins: perspectives and some recent studies of pKas, redox, and other crucial functional propertiesArieh Warshel, Anatoly DrygaPageof 24