Wepy: A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling-Reference-Cited by-同舟云学术

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Wepy: A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling

Published:2020-12-02 Issue:49 Volume:5 Page:31608-31623
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Lotz Samuel D.¹^ORCID,Dickson Alex¹²^ORCID

Affiliation:

1. Department of Biochemistry & Molecular Biology, Michigan State University, East Lansing 48824, Michigan, United States

2. Department of Computational Mathematics, Science and Engineering, Michigan State University, East Lansing 48824, Michigan, United States

Funder

Division of Mathematical Sciences

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c03892

Reference84 articles.

1. Computer simulation of protein folding

2. Dynamics of folded proteins

3. GPU-accelerated molecular modeling coming of age

4. Anton, a special-purpose machine for molecular dynamics simulation

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