OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

• Peter Eastman ,

  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

  http://orcid.org/0000-0002-9566-9684

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• Jason Swails,

  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

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• John D. Chodera,

  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

  http://orcid.org/0000-0003-0542-119X

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• Robert T. McGibbon,

  Roles Methodology, Software, Writing – review & editing

  Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America

  http://orcid.org/0000-0003-3337-954X

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• Yutong Zhao,

  Roles Software

  Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America

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• Kyle A. Beauchamp,

  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

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• Lee-Ping Wang,

  Roles Software

  Affiliation Department of Chemistry, University of California, Davis, Davis, California, United States of America

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• Andrew C. Simmonett,

  Roles Methodology, Software

  Affiliation Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America

  http://orcid.org/0000-0002-5921-9272

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• Matthew P. Harrigan,

  Roles Software

  Affiliation Department of Chemistry, Stanford University, Stanford, California, United States of America

  http://orcid.org/0000-0001-9412-0553

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• Chaya D. Stern,

  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

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• Rafal P. Wiewiora,

  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

  http://orcid.org/0000-0002-8961-7183

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• Bernard R. Brooks,

  Roles Methodology

  Affiliation Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America

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• Vijay S. Pande

  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

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