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The Journal of Chemical Physics|November 10, 2009
Error and efficiency of replica exchange molecular dynamics simulationsEdina Rosta, Gerhard HummerJournal of Chemical Theory and Computation|November 18, 2015
Free energies from dynamic weighted histogram analysis using unbiased Markov state modelEdina Rosta, Gerhard HummerThe Journal of Chemical Physics|January 26, 2010
Error and efficiency of simulated tempering simulationsEdina Rosta, Gerhard HummerJournal of the American Chemical Society|February 7, 2014
Calcium inhibition of ribonuclease H1 two-metal ion catalysisEdina Rosta, Wei Yang, Gerhard HummerJournal of Chemical Theory and Computation|January 5, 2010
Thermostat artifacts in replica exchange molecular dynamics simulationsEdina Rosta, Nicolae-Viorel Buchete, Gerhard HummerJournal of the American Chemical Society|May 5, 2011
Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulationsEdina Rosta, Marcin Nowotny, Wei Yang, et al.Journal of Chemical Theory and Computation|October 24, 2017
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased SimulationsLukas S Stelzl, Adam Kells, Edina Rosta, et al.Journal of Computational Chemistry|May 23, 2009
Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase HEdina Rosta, H Lee Woodcock, Bernard R Brooks, et al.The Journal of Chemical Physics|October 23, 2017
Peptide dimerization-dissociation rates from replica exchange molecular dynamicsCathal T Leahy, Adam Kells, Gerhard Hummer, et al.The Journal of Physical Chemistry Letters|June 21, 2016
Coarse Master Equations for Binding Kinetics of Amyloid Peptide DimersCathal T Leahy, Ronan D Murphy, Gerhard Hummer, et al.Pageof 39