Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics

• John M. Jumper,

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Software, Validation, Writing – original draft, Writing – review & editing

  Current address: DeepMind, London, United Kingdom

  Affiliations Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois, United States of America, Department of Chemistry, and The James Franck Institute, University of Chicago, Chicago, Illinois, United States of America

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• Nabil F. Faruk,

  Roles Formal analysis, Investigation, Methodology

  Affiliation Graduate Program in Biophysical Sciences, University of Chicago, Chicago, Illinois, United States of America

  http://orcid.org/0000-0003-3687-7114

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• Karl F. Freed,

  Roles Conceptualization, Funding acquisition, Project administration, Supervision, Writing – review & editing

  Affiliation Department of Chemistry, and The James Franck Institute, University of Chicago, Chicago, Illinois, United States of America

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• Tobin R. Sosnick

  Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Supervision, Writing – review & editing

  * E-mail: trsosnic@uchicago.edu

  Affiliations Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois, United States of America, Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois, United States of America

  http://orcid.org/0000-0002-2871-7244

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