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The 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 Chemical Physics|July 8, 2008
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular modelsW G Noid, Pu Liu, Yanting Wang, 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 VothBiophysical Journal|September 2, 2004
Mesoscopic lateral diffusion in lipid bilayersGary S Ayton, Gregory A VothThe Journal of Physical Chemistry. B|February 18, 2010
Probing selected morphological models of hydrated Nafion using large-scale molecular dynamics simulationsCraig K Knox, Gregory A VothProceedings of the National Academy of Sciences of the United States of America|September 2, 2005
Allostery of actin filaments: molecular dynamics simulations and coarse-grained analysisJhih-Wei Chu, Gregory A VothThe Journal of Physical Chemistry. B|October 20, 2006
Mechanisms of passive ion permeation through lipid bilayers: insights from simulationsHarald L Tepper, Gregory A VothPageof 83