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The Journal of Physical Chemistry. B|February 14, 2006
Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactionsEdina Rosta, Marco Klähn, Arieh WarshelProteins|October 21, 2009
A binding free energy decomposition approach for accurate calculations of the fidelity of DNA polymerasesRobert Rucker, Peter Oelschlaeger, Arieh WarshelThe Journal of Physical Chemistry. B|June 22, 2017
Exploring the Drug Resistance of HCV ProteaseGarima Jindal, Dibyendu Mondal, Arieh WarshelFaraday Discussions|October 7, 2014
The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactionsShina C L Kamerlin, Arieh WarshelACS Catalysis|June 28, 2021
Combinatorial Approach for Exploring Conformational Space and Activation Barriers in Computer-Aided Enzyme DesignDibyendu Mondal, Vesselin Kolev, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|October 6, 2020
Exploring the activation pathway and Gi-coupling specificity of the μ-opioid receptorDibyendu Mondal, Vesselin Kolev, Arieh WarshelThe Journal of Physical Chemistry. B|September 28, 2019
Exploring the Effectiveness of Binding Free Energy CalculationsDibyendu Mondal, Jacob Florian, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|December 6, 2003
Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthaseMarek Strajbl, Avital Shurki, Arieh WarshelNature Chemistry|September 22, 2020
The catalytic dwell in ATPases is not crucial for movement against applied torqueChen Bai, Mojgan Asadi, Arieh WarshelThe Journal of Physical Chemistry. B|September 16, 2017
Validating the Water Flooding Approach by Comparing It to Grand Canonical Monte Carlo SimulationsHanwool Yoon, Vesselin Kolev, Arieh WarshelPageof 24