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D. Aristoff

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Jul 2026

Markov state models revisited: Principles and algorithms for unbiased observables.

Markov state models (MSMs) have become ubiquitous tools for analyzing molecular dynamics (MD) simulations because of their simple, powerful premise: although complete MD sampling may be impossible, the MSM can "stitch together" transition probabilities derived from local sampling to provide a global picture of kinetics...

D. Aristoff, Robert J Webber, D. M. Zuckerman · 1 citation

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