http://orcid.org/0000-0002-9566-9684
About the Authors
- Peter Eastman
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Roles Conceptualization, Software, Supervision, Writing – original draft, Writing – review & editing
* E-mail: peastman@stanford.edu
Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America
- Jason Swails
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Roles Methodology, Software, Writing – review & editing
Affiliation Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, New Jersey, United States of America
- John D. Chodera
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Roles Conceptualization, Methodology, Resources, Software, Writing – review & editing
Affiliation Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
- Robert T. McGibbon
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Roles Methodology, Software, Writing – review & editing
Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America
- Yutong Zhao
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Roles Software
Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America
- Kyle A. Beauchamp
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Roles Software, Writing – review & editing
Current address: Counsyl Research, South San Francisco, California, United States of America
Affiliation Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
- Lee-Ping Wang
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Roles Software
Affiliation Department of Chemistry, University of California, Davis, Davis, California, United States of America
- Andrew C. Simmonett
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Roles Methodology, Software
Affiliation Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America
- Matthew P. Harrigan
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Roles Software
Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America
- Chaya D. Stern
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Roles Writing – review & editing
Affiliations Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America, Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
- Rafal P. Wiewiora
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Roles Writing – review & editing
Affiliations Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America, Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
- Bernard R. Brooks
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Roles Methodology
Affiliation Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America
- Vijay S. Pande
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Roles Conceptualization, Funding acquisition, Resources, Supervision
Affiliations Department of Chemistry, Stanford University, Stanford, California, United States of America, Department of Computer Science, Stanford University, Stanford, California, United States of America
Competing Interests
I have read the journal's policy and the authors of this manuscript have the following competing interests: VSP is an SAB member of Schrödinger, LLC and a General Partner at Andreessen Horowtiz. JDC is an SAB member of Schrödinger, LLC. KAB is currently an employee of Counsyl, Inc.