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Accounts of Chemical Research|June 19, 2002
Molecular dynamics simulations of biological reactionsArieh WarshelAngewandte Chemie (International Ed. in English)|July 26, 2014
Multiscale modeling of biological functions: from enzymes to molecular machines (Nobel Lecture)Arieh WarshelAnnual Review of Biophysics and Biomolecular Structure|February 8, 2003
Computer simulations of enzyme catalysis: methods, progress, and insightsArieh WarshelProteins|August 3, 2016
The control of the discrimination between dNTP and rNTP in DNA and RNA polymeraseHanwool Yoon, Arieh WarshelBiochemistry|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 F<sub>O</sub>F<sub>1</sub> 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 WarshelPageof 22