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Plos Computational Biology|October 27, 2010
Non-bulk-like solvent behavior in the ribosome exit tunnelDel Lucent, Christopher D Snow, Colin Echeverría Aitken, et al.
The Journal of Chemical Physics|October 2, 2009
Progress and challenges in the automated construction of Markov state models for full protein systemsGregory R Bowman, Kyle A Beauchamp, George Boxer, et al.
Journal of Medicinal Chemistry|April 15, 2020
Improvement in ADMET Prediction with Multitask Deep FeaturizationEvan N Feinberg, Elizabeth Joshi, Vijay S Pande, et al.
Proceedings of the National Academy of Sciences of the United States of America|July 11, 2012
Simple few-state models reveal hidden complexity in protein foldingKyle A Beauchamp, Robert McGibbon, Yu-Shan Lin, et al.
Journal of Molecular Biology|May 19, 2016
Tungstate as a Transition State Analog for Catalysis by Alkaline PhosphataseAriana Peck, Fanny Sunden, Logan D Andrews, et al.
Journal of Molecular Graphics & Modelling|January 27, 2009
Comparison of computational approaches for predicting the effects of missense mutations on p53 functionLillian T Chong, Jed W Pitera, William C Swope, et al.
Journal of Chemical Theory and Computation|December 20, 2015
Automated Discovery and Refinement of Reactive Molecular Dynamics PathwaysLee-Ping Wang, Robert T McGibbon, Vijay S Pande, et al.
The Journal of Chemical Physics|November 24, 2016
Optimized parameter selection reveals trends in Markov state models for protein foldingBrooke E Husic, Robert T McGibbon, Mohammad M Sultan, et al.
Biophysical Journal|August 21, 2014
Dynamical phase transitions reveal amyloid-like states on protein folding landscapesJeffrey K Weber, Robert L Jack, Christian R Schwantes, et al.
Protein Science : a Publication of the Protein Society|November 21, 2002
Thoroughly sampling sequence space: large-scale protein design of structural ensemblesStefan M Larson, Jeremy L England, John R Desjarlais, et al.
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