Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithm-Reference-Cited by-同舟云学术

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Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithm

Published:2022-12-13 Issue:8 Volume:44 Page:935-947
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Roussey Nicole M.¹,Dickson Alex²^ORCID

Affiliation:

1. Department of Biochemistry and Molecular Biology Michigan State University East Lansing Michigan USA

2. Department of Biochemistry and Molecular Biology, Department of Computational Mathematics, Science, and Engineering Michigan State University East Lansing Michigan USA

Funder

National Institutes of Health

National Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27054

Reference54 articles.

1. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

2. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

3. New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles

4. Nonequilibrium Equality for Free Energy Differences

5. Multidimensional replica-exchange method for free-energy calculations

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. 15 Years of molecular simulation of drug-binding kinetics;Expert Opinion on Drug Discovery;2023-10-04

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