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The Journal of Physical Chemistry. B|September 29, 2006
Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phasesGongyi Hong, Edina Rosta, Arieh WarshelJournal of Chemical Theory and Computation|February 26, 2020
Efficient Irreversible Monte Carlo SamplersFahim Faizi, George Deligiannidis, Edina RostaThe Journal of Physical Chemistry Letters|October 30, 2023
Direct Calculation of Electron Transfer Rates with the Binless Dynamic Histogram Analysis MethodZsuzsanna Koczor-Benda, Teodora Mateeva, Edina RostaJournal of Chemical Theory and Computation|March 17, 2021
Position-Dependent Diffusion from Biased Simulations and Markov State Model AnalysisFrançois Sicard, Vladimir Koskin, Alessia Annibale, et al.Organic & Biomolecular Chemistry|January 12, 2017
Modulating the oxidation of cucurbit[n]urilsJade A McCune, Edina Rosta, Oren A SchermanBiochemistry|March 1, 2008
On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solutionEdina Rosta, Shina C L Kamerlin, Arieh WarshelThe Journal of Chemical Physics|March 16, 2020
Correlation functions, mean first passage times, and the Kemeny constantAdam Kells, Vladimir Koskin, Edina Rosta, et al.Biophysical Journal|June 28, 2003
Kinetics from nonequilibrium single-molecule pulling experimentsGerhard Hummer, Attila SzaboProceedings of the National Academy of Sciences of the United States of America|November 25, 2010
Free energy profiles from single-molecule pulling experimentsGerhard Hummer, Attila SzaboProceedings of the National Academy of Sciences of the United States of America|November 3, 2010
Pore opening and closing of a pentameric ligand-gated ion channelFangqiang Zhu, Gerhard HummerPageof 39