Long-time protein folding dynamics from short-time molecular dynamics simulations

John D. Chodera, William C. Swope, Jed W. Pitera, and Ken A. Dill.
Multiscale Model. Simul. 5:1214, 2006. [DOI] [PDF]

We show how the long-time dynamics of biomolecular systems can be recapitulated from statistics collected from short molecular simulations sampling transitions between kinetically metastable states.