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The Journal of Chemical Physics|July 16, 2024
Understanding dynamics in coarse-grained models. IV. Connection of fine-grained and coarse-grained dynamics with the Stokes-Einstein and Stokes-Einstein-Debye relationsJaehyeok Jin, Gregory A VothBiochimica Et Biophysica Acta|December 20, 2011
Expanding the view of proton pumping in cytochrome c oxidase through computer simulationYuxing Peng, Gregory A VothBiophysical Journal|November 22, 2011
The coupled proton transport in the ClC-ec1 Cl(-)/H(+) antiporterYong Zhang, Gregory A VothJournal of Chemical Theory and Computation|January 4, 2022
Using Machine Learning to Greatly Accelerate Path Integral <i>Ab Initio</i> Molecular DynamicsChenghan Li, Gregory A VothThe Journal of Physical Chemistry. B|February 8, 2012
Proton transport pathways in [NiFe]-hydrogenaseIsaiah Sumner, Gregory A VothThe Journal of Chemical Physics|June 21, 2011
The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentialsLanyuan Lu, Gregory A VothBiophysical Journal|July 8, 2009
Proton transport pathway in the ClC Cl-/H+ antiporterDong Wang, Gregory A VothBiophysical Journal|May 16, 2020
Microtubule Simulations Provide Insight into the Molecular Mechanism Underlying Dynamic InstabilityDudu Tong, Gregory A VothJournal of Chemical Theory and Computation|September 1, 2021
Using Constrained Density Functional Theory to Track Proton Transfers and to Sample Their Associated Free Energy SurfaceChenghan Li, Gregory A VothThe Journal of Physical Chemistry Letters|February 2, 2023
Statistical Mechanical Design Principles for Coarse-Grained Interactions across Different Conformational Free Energy SurfacesJaehyeok Jin, Gregory A VothPageof 83