Showing results (21-30 of 216) with videos related to
Sort By:
Pageof 22
Journal of Chemical Information and Modeling|February 10, 2017
pmx Webserver: A User Friendly Interface for AlchemistryVytautas Gapsys, Bert L de GrootChemical Science|April 30, 2025
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scanLisa Schmidt, Bert L de GrootBiophysical Journal|February 3, 2009
Determinants of water permeability through nanoscopic hydrophilic channelsGuillem Portella, Bert L de GrootElife|August 20, 2020
On the importance of statistics in molecular simulations for thermodynamics, kinetics and simulation box sizeVytautas Gapsys, Bert L de GrootThe Journal of Biological Chemistry|February 22, 2023
Molecular dynamics simulations reveal the importance of amyloid-beta oligomer β-sheet edge conformations in membrane permeabilizationDirk Matthes, Bert L de GrootJournal of Chemical Theory and Computation|June 15, 2026
Enhancing Relative Binding Free Energy Calculation with Grand Canonical Monte Carlo, Water-swap Monte Carlo, Terminal-flip Monte Carlo and Replica Exchange Solute TemperingChenggong Hui, Bert L de GrootNature Communications|May 3, 2020
Lipid-protein interactions modulate the conformational equilibrium of a potassium channelRuo-Xu Gu, Bert L de GrootBiophysical Journal|March 27, 2007
Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchangeMarcus B Kubitzki, Bert L de GrootPlos Computational Biology|September 27, 2013
Collective dynamics underlying allosteric transitions in hemoglobinMartin D Vesper, Bert L de GrootBiophysical Journal|March 29, 2018
Mechanism of Mechanosensitive Gating of the TREK-2 Potassium ChannelJulian T Brennecke, Bert L de GrootPageof 22