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Biophysical 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 VothThe Journal of Physical Chemistry. B|September 13, 2025
Hydrated Protons at the Water-Air and Water-Oil Interfaces: Structure and DynamicsSijia Chen, Gregory A VothBiophysical Journal|January 15, 2026
Mutation and ACE2-induced Allosteric Network Rewiring in Delta and Omicron SARS-CoV-2 Spike ProteinsMandira Dutta, Gregory A VothCurrent Opinion in Structural Biology|May 13, 2024
Making the cut: Multiscale simulation of membrane remodelingJeriann Beiter, 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 VothNucleic Acids Research|October 15, 2015
Explaining the striking difference in twist-stretch coupling between DNA and RNA: A comparative molecular dynamics analysisKorbinian Liebl, Tomas Drsata, Filip Lankas, 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 VothPageof 51