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The Journal of Physical Chemistry. B|December 19, 2023
Simulating the Fluorescence of Di-8-ANEPPS in Solvents of Different PolarityRachael Youngworth, Benoît RouxThe Journal of Chemical Physics|June 25, 2010
Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theoryBenoît Roux, Haibo YuJournal of Molecular Biology|July 14, 2010
Ion selectivity of the KcsA channel: a perspective from multi-ion free energy landscapesBernhard Egwolf, Benoît RouxProtein Science : a Publication of the Protein Society|June 25, 2015
Computational study of the W260A activating mutant of Src tyrosine kinaseYilin Meng, Benoît RouxStructure (London, England : 1993)|April 20, 2005
A gate in the selectivity filter of potassium channelsSimon Bernèche, Benoît RouxThe Journal of Chemical Physics|January 17, 2015
Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics-Monte Carlo simulationsYunjie Chen, Benoît RouxJournal of Chemical Theory and Computation|November 18, 2015
Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulations Guided by a Coarse-Grained ModelYunjie Chen, Benoît RouxThe Journal of Physical Chemistry. B|February 24, 2006
Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force fieldGuillaume Lamoureux, Benoît RouxThe Journal of Physical Chemistry. B|January 17, 2009
Computations of standard binding free energies with molecular dynamics simulationsYuqing Deng, Benoît RouxBiophysical Journal|October 22, 2009
On the utilization of energy minimization to the study of ion selectivityHaibo Yu, Benoît RouxPageof 33