Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis-Reference-Cited by-同舟云学术

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Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis

Published:2024-06-17 Issue:13 Volume:20 Page:5439-5450
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Ru¹,Ji Xiaojun²³^ORCID,Wang Hao¹^ORCID,Liu Wenjian¹^ORCID

Affiliation:

1. Qingdao Institute for Theoretical and Computational Sciences, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, Shandong 266237, P. R. China

2. Research Center for Mathematics and Interdisciplinary Sciences, Shandong University, Qingdao, Shandong 266237, P. R. China

3. Frontiers Science Center for Nonlinear Expectations (Ministry of Education), Shandong University, Qingdao, Shandong 266237, P. R. China

Funder

Shandong University

Natural Science Foundation of Shandong Province

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00510

Reference47 articles.

1. Markov models of molecular kinetics: Generation and validation

2. An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation

3. Markov State Models: From an Art to a Science

4. Weighted-ensemble Brownian dynamics simulations for protein association reactions

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

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