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Journal of Chemical Theory and Computation|December 13, 2023
A Rigorous Framework for Calculating Protein-Protein Binding Affinities in MembranesMarharyta Blazhynska, James C Gumbart, Haochuan Chen, et al.Nature Computational Science|June 30, 2025
Iterative variational learning of committor-consistent transition pathways using artificial neural networksAlberto Megías, Sergio Contreras Arredondo, Cheng Giuseppe Chen, et al.Journal of Chemical Theory and Computation|February 9, 2022
A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and PitfallsHaochuan Chen, Dylan Ogden, Shashank Pant, et al.Journal of Chemical Theory and Computation|January 16, 2026
Following the Committor Flow: A Data-Driven Discovery of Transition PathwaysCheng Giuseppe Chen, Chenyu Tang, Alberto Megías, et al.Journal of Chemical Theory and Computation|November 8, 2017
Constant-pH Molecular Dynamics Simulations for Large Biomolecular SystemsBrian K Radak, Christophe Chipot, Donghyuk Suh, et al.Journal of Chemical Information and Modeling|July 14, 2023
Predictions from First-Principles of Membrane Permeability to Small Molecules: How Useful Are They in Practice?Christophe ChipotJournal of Computational Chemistry|February 21, 2003
Rational determination of charge distributions for free energy calculationsChristophe ChipotAnnual Review of Biophysics|January 10, 2023
Free Energy Methods for the Description of Molecular ProcessesChristophe ChipotMethods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Free energy calculations applied to membrane proteinsChristophe ChipotJournal of Chemical Theory and Computation|December 2, 2015
Milestones in the Activation of a G Protein-Coupled Receptor. Insights from Molecular-Dynamics Simulations into the Human Cholecystokinin Receptor-1Christophe ChipotPageof 59