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Nature Communications|March 11, 2018
Large enhancement of response times of a protein conformational switch by computational designAlex J DeGrave, Jeung-Hoi Ha, Stewart N Loh, et al.
Journal of Computational Chemistry|June 9, 2009
Absolute free energies estimated by combining precalculated molecular fragment librariesXin Zhang, Artem B Mamonov, Daniel M Zuckerman
Physical Review Letters|February 21, 2006
Resolution exchange simulationEdward Lyman, F Marty Ytreberg, Daniel M Zuckerman
Journal of Chemical Theory and Computation|June 25, 2016
Accurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State ModelsErnesto Suárez, Joshua L Adelman, Daniel M Zuckerman
The Journal of Chemical Physics|March 3, 2007
Transition-event durations in one-dimensional activated processesBin W Zhang, David Jasnow, Daniel M Zuckerman
Journal of Computational Chemistry|August 25, 2010
Rapid sampling of all-atom peptides using a library-based polymer-growth approachArtem B Mamonov, Xin Zhang, Daniel M Zuckerman
The Journal of Physical Chemistry. B|April 13, 2010
Efficient equilibrium sampling of all-atom peptides using library-based Monte CarloYing Ding, Artem B Mamonov, Daniel M Zuckerman
The Journal of Chemical Physics|July 10, 2010
Steady-state simulations using weighted ensemble path samplingDivesh Bhatt, Bin W Zhang, Daniel M Zuckerman
Journal of Computational Chemistry|March 10, 2011
Extending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction spaceSteven Lettieri, Artem B Mamonov, Daniel M Zuckerman
Biophysical Journal|October 28, 2020
Should Virus Capsids Assemble Perfectly? Theory and Observation of DefectsJustin Spiriti, James F Conway, Daniel M Zuckerman
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