Optimized parameter selection reveals trends in Markov state models for protein folding

As molecular dynamics simulations access increasingly longer time scales, complementary advances in the analysis of biomolecular time-series data are necessary. Markov state models offer a powerful framework for this analysis by describing a system’s states and the transitions between them. A recent...

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Veröffentlicht in:	The Journal of chemical physics 2016-11, Vol.145 (19), p.194103-194103
Hauptverfasser:	Husic, Brooke E., McGibbon, Robert T., Sultan, Mohammad M., Pande, Vijay S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Computer simulation Folding Kinetics Markov Chains Molecular dynamics Molecular Dynamics Simulation Protein Domains Protein Folding Proteins Theorems
Online-Zugang:	Volltext
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