Showing results (221-230 of 581) with videos related to
Sort By:
Pageof 59
The Journal of Physical Chemistry. B|April 17, 2008
Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine alpha-helixDeniz Sezer, Jack H Freed, Benoît RouxThe Journal of Chemical Physics|December 3, 2008
Computing conformational free energy by deactivated morphingSanghyun Park, Albert Y Lau, Benoît RouxThe Journal of Physical Chemistry. B|July 21, 2006
Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force fieldSergei Yu Noskov, Guillaume Lamoureux, Benoît RouxJournal of Chemical Theory and Computation|November 19, 2015
Comparison between Mean Forces and Swarms-of-Trajectories String MethodsLuca Maragliano, Benoît Roux, Eric Vanden-EijndenThe Journal of Chemical Physics|May 2, 2008
Simulating electron spin resonance spectra of nitroxide spin labels from molecular dynamics and stochastic trajectoriesDeniz Sezer, Jack H Freed, Benoît RouxThe Journal of Physical Chemistry. B|February 23, 2008
Finding transition pathways using the string method with swarms of trajectoriesAlbert C Pan, Deniz Sezer, Benoît RouxAccounts of Chemical Research|April 21, 2017
Tyrosine Kinase Activation and Conformational Flexibility: Lessons from Src-Family Tyrosine KinasesYilin Meng, Matthew P Pond, Benoît RouxJournal of Chemical Theory and Computation|May 29, 2020
pKa Calculations with the Polarizable Drude Force Field and Poisson-Boltzmann Solvation ModelAlexey Aleksandrov, Benoît Roux, Alexander D MacKerellBiophysical Journal|September 30, 2004
Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theorySergei Yu Noskov, Wonpil Im, Benoît RouxProceedings of the National Academy of Sciences of the United States of America|February 20, 2009
Mapping the conformational transition in Src activation by cumulating the information from multiple molecular dynamics trajectoriesSichun Yang, Nilesh K Banavali, Benoît RouxPageof 59