Building Markov state models along pathways to determine free energies and rates of transitions.
Building Markov state models along pathways to determine free energies and rates of transitions.
Albert C. Pan,B. Roux
2008 · DOI: 10.1063/1.2959573
Journal of Chemical Physics · 159 Citations
TLDR
It is shown, using a model system, how this strategy makes it possible to use trajectories that are significantly shorter than the slowest relaxation time to efficiently build a reliable and accurate Markov model.
