Accelerated Estimation of Long-Timescale Kinetics from Weighted Ensemble Simulation via Non-Markovian “Microbin” Analysis-Reference-Cited by-同舟云学术

Accelerated Estimation of Long-Timescale Kinetics from Weighted Ensemble Simulation via Non-Markovian “Microbin” Analysis

Published:2020-09-29 Issue:11 Volume:16 Page:6763-6775
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Copperman Jeremy¹^ORCID,Zuckerman Daniel M.¹

Affiliation:

1. Department of Biomedical Engineering, Oregon Health and Science University, Portland, Oregon 97239, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00273

Reference59 articles.

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3. The “weighted ensemble” path sampling method is statistically exact for a broad class of stochastic processes and binning procedures

4. Analysis and optimization of weighted ensemble sampling

5. Aristoff, D.; Zuckerman, D. M. Optimizing Weighted Ensemble Sampling of Steady States. 2018, arXiv:1806.00860. arXiv.org e-Print archive. http://arxiv.org/abs/1806.00860.

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