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Science Advances|April 16, 2025
Kinetic implications of IP6 anion binding on the molecular switch of HIV-1 capsid assemblyManish Gupta, Arpa Hudait, Mark Yeager, et al.Biophysical Journal|February 28, 2013
Autoinhibition of endophilin in solution via interdomain interactionsFrancisco X Vázquez, Vinzenz M Unger, Gregory A VothBiophysical Journal|October 22, 2009
Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network modelsZhiyong Zhang, Jim Pfaendtner, Andrea Grafmüller, et al.Journal of the American Chemical Society|June 12, 2003
The theory of electron transfer reactions: what may be missing?David W Small, Dmitry V Matyushov, Gregory A VothThe Journal of Physical Chemistry. B|September 13, 2011
Exploration of transferability in multiscale coarse-grained peptide modelsIan F Thorpe, David P Goldenberg, Gregory A VothThe Journal of Chemical Physics|February 18, 2006
A second generation mesoscopic lipid bilayer model: connections to field-theory descriptions of membranes and nonlocal hydrodynamicsGary S Ayton, J Liam McWhirter, Gregory A VothJournal of Chemical Theory and Computation|August 8, 2014
Computationally Efficient Multiconfigurational Reactive Molecular DynamicsTakefumi Yamashita, Yuxing Peng, Chris Knight, et al.Journal of Chemical Theory and Computation|November 18, 2015
Predicting the Sensitivity of Multiscale Coarse-Grained Models to their Underlying Fine-Grained Model ParametersJacob W Wagner, James F Dama, Gregory A VothJournal of Chemical Theory and Computation|September 14, 2022
Centroid Molecular Dynamics Can Be Greatly Accelerated through Neural Network Learned Centroid Forces Derived from Path Integral Molecular DynamicsTimothy D Loose, Patrick G Sahrmann, Gregory A VothThe Journal of Physical Chemistry. B|March 9, 2022
Computational Studies of Lipid DropletsSiyoung Kim, Jessica M J Swanson, Gregory A VothPageof 83