Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours

• John M. Jumper,

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

  Current address: DeepMind, 5 New Street Square, London EC4A 3TW, UK

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

  http://orcid.org/0000-0001-6169-6580

  ⨯
• Nabil F. Faruk,

  Roles Formal analysis, Investigation

  Affiliation Graduate Program in Biophysical Sciences, University of Chicago, Chicago, Illinois, USA

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

  ⨯
• 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, USA

  ⨯
• 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, USA, Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois, USA

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

  ⨯