What Markov state models can and cannot do: Correlation versus path-based observables in protein folding models
E. Suarez, R. P. Wiewiora, C. Wehmeyer, F. Noe, J. D. Chodera, D. M. Zuckerman
This study evaluates the ability of Markov state models (MSMs) to reproduce path-based observables in protein folding, finding they are reliable only when state lifetimes exceed the lag time, and history-augmented MSMs improve reliability.
bioRxiv · Nov 9, 2020Biophysics