What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models-Reference-Cited by-同舟云学术

What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models

Published:2021-04-27 Issue:5 Volume:17 Page:3119-3133
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Suárez Ernesto¹^ORCID,Wiewiora Rafal P.²,Wehmeyer Chris³,Noé Frank³,Chodera John D.²^ORCID,Zuckerman Daniel M.⁴^ORCID

Affiliation:

1. Advanced Biomedical Computational Science, Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702, United States

2. Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, Sloan Kettering Institute, New York, New York 10065, United States

3. Freie Universität Berlin, 14195 Berlin, Germany

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

Funder

National Cancer Institute

Division of Molecular and Cellular Biosciences

U.S. Department of Defense

National Institutes of Health

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01154

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