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The Journal of Physical Chemistry. B|March 15, 2013
Unraveling the role of the protein environment for [FeFe]-hydrogenase: a new application of coarse-grainingMartin McCullagh, Gregory A VothJournal of the American Chemical Society|July 13, 2023
Elucidating the Molecular Mechanism of CO<sub>2</sub> Capture by Amino Acid Ionic LiquidsBohak Yoon, Gregory A VothBiophysical Journal|July 30, 2003
A computer simulation study of the hydrated proton in a synthetic proton channelYujie Wu, Gregory A VothBiophysical Journal|December 24, 2002
Bridging microscopic and mesoscopic simulations of lipid bilayersGary Ayton, Gregory A VothThe Journal of Physical Chemistry. B|April 24, 2009
The properties of water: insights from quantum simulationsFrancesco Paesani, Gregory A VothThe Journal of Physical Chemistry. B|June 17, 2010
Molecular dynamics simulations of polyglutamine aggregation using solvent-free multiscale coarse-grained modelsYanting Wang, Gregory A VothJournal of the American Chemical Society|December 24, 2011
Insights into the mechanism of proton transport in cytochrome c oxidaseTakefumi Yamashita, Gregory A VothJournal of Chemical Theory and Computation|August 8, 2014
A Hybrid Approach for Highly Coarse-grained Lipid Bilayer ModelsAnand Srivastava, Gregory A VothBiophysical Journal|August 3, 2012
Molecular and thermodynamic insights into the conformational transitions of Hsp90Mijo Simunovic, Gregory A VothBiorxiv : the Preprint Server for Biology|November 26, 2025
Mutation and ACE2-induced Allosteric Network Rewiring in Delta and Omicron SARS-CoV-2 Spike ProteinsMandira Dutta, Gregory A VothPageof 49