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Biophysical Journal|April 28, 2016
Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2Christian R Schwantes, Diwakar Shukla, Vijay S Pande
Biophysical Journal|March 25, 2014
Bayesian energy landscape tilting: towards concordant models of molecular ensemblesKyle A Beauchamp, Vijay S Pande, Rhiju Das
Journal of the American Chemical Society|March 1, 2011
Water ordering at membrane interfaces controls fusion dynamicsPeter M Kasson, Erik Lindahl, Vijay S Pande
Plos Computational Biology|June 30, 2010
Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tailsPeter M Kasson, Erik Lindahl, Vijay S Pande
Methods (San Diego, Calif.)|May 5, 2009
Using generalized ensemble simulations and Markov state models to identify conformational statesGregory R Bowman, Xuhui Huang, Vijay S Pande
The Journal of Chemical Physics|July 21, 2004
Using path sampling to build better Markovian state models: predicting the folding rate and mechanism of a tryptophan zipper beta hairpinNina Singhal, Christopher D Snow, Vijay S Pande
Proceedings of the National Academy of Sciences of the United States of America|December 20, 1994
Nonrandomness in protein sequences: evidence for a physically driven stage of evolution?V S Pande, A Y Grosberg, T Tanaka
The Journal of Chemical Physics|June 3, 2008
Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environmentXuhui Huang, Gregory R Bowman, Vijay S Pande
The Journal of Chemical Physics|January 6, 2006
Foldamer dynamics expressed via Markov state models. II. State space decompositionSidney P Elmer, Sanghyun Park, Vijay S Pande
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