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The Journal of Physical Chemistry. B|August 3, 2012
Exploring, refining, and validating the paradynamics QM/MM samplingNikolay V Plotnikov, Arieh WarshelThe Journal of Physical Chemistry. B|December 4, 2012
Addressing open questions about phosphate hydrolysis pathways by careful free energy mappingB Ram Prasad, Nikolay V Plotnikov, Arieh WarshelThe Journal of Physical Chemistry. B|May 31, 2011
Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasksNikolay V Plotnikov, Shina C L Kamerlin, Arieh WarshelProceedings of the National Academy of Sciences of the United States of America|November 28, 2013
Quantitative exploration of the molecular origin of the activation of GTPaseRam Prasad B, Nikolay V Plotnikov, Jeronimo Lameira, et al.The Journal of Physical Chemistry. B|April 23, 2013
Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfacesNikolay V Plotnikov, B Ram Prasad, Suman Chakrabarty, et al.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 WarshelJournal of Chemical Theory and Computation|August 20, 2014
Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine ModelNikolay V PlotnikovProteins|August 3, 2016
The control of the discrimination between dNTP and rNTP in DNA and RNA polymeraseHanwool Yoon, Arieh WarshelPageof 22