Showing results (81-90 of 581) with videos related to
Sort By:
Pageof 59
Nature Communications|January 15, 2020
Annexin-V stabilizes membrane defects by inducing lipid phase transitionYi-Chih Lin, Christophe Chipot, Simon ScheuringJournal of Chemical Theory and Computation|August 23, 2011
Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy CalculationsWei Jiang, Benoît RouxBiophysical Journal|March 6, 2012
Determination of membrane-insertion free energies by molecular dynamics simulationsJames Gumbart, Benoît RouxJournal of Chemical Theory and Computation|November 18, 2015
Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear RegressionYilin Meng, Benoît RouxProteins|September 4, 2008
Binding specificity of SH2 domains: insight from free energy simulationsWenxun Gan, Benoît RouxThe Journal of Chemical Physics|September 22, 2014
Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversalYunjie Chen, Benoît RouxThe Journal of Chemical Physics|March 26, 2008
Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulationsYuqing Deng, Benoît RouxThe Journal of Physical Chemistry. B|December 19, 2023
Simulating the Fluorescence of the Locally Excited State of DMABN in Solvents of Different PolaritiesRachael Youngworth, Benoît RouxBiophysical Journal|April 20, 2002
Molecular mechanism of H+ conduction in the single-file water chain of the gramicidin channelRégis Pomès, 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 YuPageof 59