OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes-Reference-Cited by-同舟云学术

OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes

Published:2018-10-25 Issue:2 Volume:15 Page:837-856
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Swenson David W. H.¹²,Prinz Jan-Hendrik²³,Noe Frank³,Chodera John D.²^ORCID,Bolhuis Peter G.¹^ORCID

Affiliation:

1. van’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, 1090 GD Amsterdam, The Netherlands

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

3. Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin, 14195 Berlin, Germany

Funder

National Cancer Institute

Deutsche Forschungsgemeinschaft

H2020 Research Infrastructures

National Institute of General Medical Sciences

H2020 European Research Council

Sloan Kettering Institute

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00627

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