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Journal of Chemical Theory and Computation|December 3, 2015
Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude OscillatorEdward Harder, Victor M Anisimov, Igor V Vorobyov, et al.The European Physical Journal. B|December 16, 2022
TYROSINE KINASES: COMPLEX MOLECULAR SYSTEMS CHALLENGING COMPUTATIONAL METHODOLOGIESTrayder Thomas, Benoît RouxThe Journal of Physical Chemistry. B|July 9, 2010
Absolute binding free energy calculations of sparsomycin analogs to the bacterial ribosomeXiaoxia Ge, Benoît RouxJournal of Chemical Theory and Computation|December 3, 2015
Calculation of Standard Binding Free Energies: Aromatic Molecules in the T4 Lysozyme L99A MutantYuqing Deng, Benoît RouxBiophysical Journal|January 25, 2002
The ionization state and the conformation of Glu-71 in the KcsA K(+) channelSimon Bernèche, Benoît RouxJournal of Molecular Biology|June 25, 2002
Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solutionWonpil Im, Benoît RouxJournal of Molecular Biology|September 25, 2002
Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theoryWonpil Im, Benoît RouxBiophysical Journal|August 21, 2007
Dynamics of the Kv1.2 voltage-gated K+ channel in a membrane environmentVishwanath Jogini, Benoît RouxThe Journal of Physical Chemistry. B|July 4, 2025
Membrane Permeability of Sucrose Calculated from Equilibrium Time-Correlation Functions Using Molecular Dynamics Simulations with Enhanced SamplingJonathan Harris, Benoît RouxThe Journal of Physical Chemistry Letters|September 7, 2023
Simulating the Voltage-Dependent Fluorescence of Di-8-ANEPPS in a Lipid MembraneRachael Youngworth, Benoît RouxPageof 33