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Current Opinion in Structural Biology|May 13, 2024
Making the cut: Multiscale simulation of membrane remodelingJeriann Beiter, Gregory A VothBiophysical Journal|September 22, 2024
Lipid organization by the Caveolin-1 complexKorbinian Liebl, Gregory A VothThe Journal of Chemical Physics|February 9, 2007
Smart resolution replica exchange: an efficient algorithm for exploring complex energy landscapesPu Liu, Gregory A VothThe Journal of Chemical Physics|December 16, 2014
Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenaseOlaseni Sode, Gregory A VothThe Journal of Physical Chemistry. B|November 22, 2022
Quick and Accurate Estimates of Mutation Effects on Transition-State Stabilization of Enzymes from Molecular Simulations with Restrained Transition StatesTucker Burgin, Jim Pfaendtner, David A C BeckLangmuir : the ACS Journal of Surfaces and Colloids|June 4, 2026
Design Rules for Selective Peptide Amphiphile-Gold Nanoparticle Interactions from Atomistic SimulationsChristopher Kang, Abigail Gringeri, Abigail S Knight, et al.Current Opinion in Structural Biology|January 3, 2025
On the emergence of machine-learning methods in bottom-up coarse-grainingPatrick G Sahrmann, Gregory A VothJournal of Chemical Theory and Computation|September 3, 2020
Density Functional Theory-Based Quantum Mechanics/Coarse-Grained Molecular Mechanics: Theory and ImplementationAlexander V Mironenko, Gregory A VothThe Journal of Physical Chemistry. A|August 25, 2022
Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-MatchingWon Hee Ryu, Gregory A VothProceedings of the National Academy of Sciences of the United States of America|September 30, 2006
Direct observation of Bin/amphiphysin/Rvs (BAR) domain-induced membrane curvature by means of molecular dynamics simulationsPhilip D Blood, Gregory A VothPageof 60