• Corpus ID: 129945601

Capacities and the Free Passage of Entropic Barriers.

@article{Loper2019CapacitiesAT,
  title={Capacities and the Free Passage of Entropic Barriers.},
  author={Jackson Loper and Guangyao Zhou and Stuart Geman},
  journal={arXiv: Computational Physics},
  year={2019}
}
We propose an approach for estimating the probability that a given small target, among many, will be the first to be reached in a molecular dynamics simulation. Reaching small targets out of a vast number of possible configurations constitutes an entropic barrier. Experimental evidence suggests that entropic barriers are ubiquitous in biomolecular systems, and often characterize the rate-limiting step of biomolecular processes. Presumably for the same reasons, they often characterize the rate… 

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