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Structure (London, England : 1993)|October 17, 2007
The free energy landscapes governing conformational changes in a glutamate receptor ligand-binding domainAlbert Y Lau, Benoît RouxBiophysical Journal|December 25, 2025
Conductance of a potassium channel in the limit of zero membrane potentialRamon Mendoza Uriarte, Benoît RouxJournal of Chemical Theory and Computation|January 31, 2020
Identification of Druggable Kinase Target Conformations Using Markov Model Metastable States Analysis of apo-AblFabian Paul, Yilin Meng, Benoît RouxJournal of Chemical Information and Modeling|August 15, 2019
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMDWei Jiang, Christophe Chipot, Benoît RouxBiophysical Journal|November 5, 2002
Modeling the structure of agitoxin in complex with the Shaker K+ channel: a computational approach based on experimental distance restraints extracted from thermodynamic mutant cyclesMats A L Eriksson, Benoît RouxBiophysical Journal|August 19, 2009
Atomistic view of the conformational activation of Src kinase using the string method with swarms-of-trajectoriesWenxun Gan, Sichun Yang, Benoît RouxNeuron|December 14, 2011
In search of a consensus model of the resting state of a voltage-sensing domainErnesto Vargas, Francisco Bezanilla, Benoît RouxBiophysical Journal|May 9, 2014
Permeation redux: thermodynamics and kinetics of ion movement through potassium channelsRichard Horn, Benoît Roux, Johan ÅqvistJournal of Chemical Theory and Computation|November 27, 2015
Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent ModelDevleena Shivakumar, Yuqing Deng, Benoît RouxJournal of Chemical Theory and Computation|May 24, 2023
Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine LearningHaochuan Chen, Benoît Roux, Christophe ChipotPageof 33