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The Journal of Physical Chemistry. A|July 17, 2024
QM/CG-MM: Systematic Embedding of Quantum Mechanical Systems in a Coarse-Grained Environment with Accurate ElectrostaticsDa Teng, Alexander V Mironenko, Gregory A VothThe Journal of Chemical Physics|December 11, 2023
Can a coarse-grained water model capture the key physical features of the hydrophobic effect?Kuntal Ghosh, Timothy D Loose, Gregory A VothJournal of the American Chemical Society|September 14, 2011
Key intermolecular interactions in the E. coli 70S ribosome revealed by coarse-grained analysisZhiyong Zhang, Karissa Y Sanbonmatsu, Gregory A VothThe Journal of Physical Chemistry. B|September 24, 2008
Peptide folding using multiscale coarse-grained modelsIan F Thorpe, Jian Zhou, Gregory A VothThe Journal of Chemical Physics|July 17, 2009
The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperaturesVinod Krishna, Will G Noid, Gregory A VothThe Journal of Chemical Physics|December 18, 2016
Dynamic force matching: Construction of dynamic coarse-grained models with realistic short time dynamics and accurate long time dynamicsAram Davtyan, Gregory A Voth, Hans C AndersenJournal of Chemical Theory and Computation|January 24, 2017
The Theory of Ultra-Coarse-Graining. 3. Coarse-Grained Sites with Rapid Local Equilibrium of Internal StatesJames F Dama, Jaehyeok Jin, Gregory A VothJournal of Chemical Theory and Computation|February 17, 2021
Compressive and Tensile Deformations Alter ATP Hydrolysis and Phosphate Release Rates in Actin FilamentsSriramvignesh Mani, Harshwardhan H Katkar, Gregory A VothBiophysical Journal|September 22, 2012
Coarse-graining provides insights on the essential nature of heterogeneity in actin filamentsJun Fan, Marissa G Saunders, Gregory A VothThe Journal of Chemical Physics|March 3, 2005
Fast centroid molecular dynamics: a force-matching approach for the predetermination of the effective centroid forcesTyler D Hone, Sergei Izvekov, Gregory A VothPageof 83