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Journal of Chemical Information and Modeling|May 6, 2026
Machine Learning-Driven Simulations of the SARS-CoV-2 Fitness Landscape from Deep Mutational Scanning ExperimentsAleksander E P Durumeric, Sean McCarty, Jay Smith, et al.Biophysical Journal|February 28, 2002
Molecular dynamics simulation of proton transport near the surface of a phospholipid membraneAlexander M Smondyrev, Gregory A VothBiophysical Journal|October 8, 2013
Effects of ATP and actin-filament binding on the dynamics of the myosin II S1 domainJoseph L Baker, Gregory A VothBiophysical Journal|September 27, 2002
Molecular dynamics simulation of proton transport through the influenza A virus M2 channelAlexander M Smondyrev, Gregory A VothJournal of Structural Biology|December 1, 2006
Multiscale simulation of transmembrane proteinsGary S Ayton, Gregory A VothCurrent Opinion in Structural Biology|April 14, 2009
Systematic multiscale simulation of membrane protein systemsGary S Ayton, Gregory A VothJournal of Chemical Theory and Computation|November 24, 2015
Multi-state Approach to Chemical Reactivity in Fragment Based Quantum Chemistry CalculationsAdrian W Lange, Gregory A VothJournal of Chemical Theory and Computation|February 27, 2020
Reactive Coarse-Grained Molecular DynamicsThomas Dannenhoffer-Lafage, Gregory A VothBiorxiv : the Preprint Server for Biology|May 5, 2021
Molecular interactions of the M and E integral membrane proteins of SARS-CoV-2Viviana Monje-Galvan, Gregory A VothBiophysical Journal|February 21, 2025
Understanding the coarse-grained free energy landscape of phospholipids and their phase separationPatrick G Sahrmann, Gregory A VothPageof 50