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The Journal of Physical Chemistry Letters|April 30, 2016
All-Atom Molecular Dynamics of Virus Capsids as Drug TargetsJuan R Perilla, Jodi A Hadden, Boon Chong Goh, et al.
Journal of Molecular Graphics & Modelling|April 22, 2004
Tools for channels: moving towards molecular calculations of gating and permeation in ion channel biophysicsThomas B Woolf, Daniel M Zuckerman, Nandou Lu, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 13, 2004
Using overlap and funnel sampling to obtain accurate free energies from nonequilibrium work measurementsNandou Lu, Di Wu, Thomas B Woolf, et al.
Plos Computational Biology|May 14, 2020
Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACCEric Wright, Mauricio H Ferrato, Alexander J Bryer, et al.
Computing in Science & Engineering|January 29, 2021
Scalable Analysis of Authentic Viral Envelopes on FRONTERAFabio González-Arias, Tyler Reddy, John E Stone, et al.
Elife|May 1, 2018
All-atom molecular dynamics of the HBV capsid reveals insights into biological function and cryo-EM resolution limitsJodi A Hadden, Juan R Perilla, Christopher John Schlicksup, et al.
Journal of Computational Chemistry|April 19, 2011
MDAnalysis: a toolkit for the analysis of molecular dynamics simulationsNaveen Michaud-Agrawal, Elizabeth J Denning, Thomas B Woolf, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Environmental Effects on Glycophorin A Folding and Structure Examined through Molecular SimulationsHirsh Nanda, Jonathan N Sachs, Horia I Petrache, et al.
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