Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

• Nathaniel Bloodworth,

  Roles Conceptualization, Data curation, Formal analysis, Methodology, Software, Writing – original draft, Writing – review & editing

  Affiliation Division of Clinical Pharmacology, Department of Medicine, Vanderbilt University Medical Center, Nashville, Tennessee, United States of America

  https://orcid.org/0000-0002-5758-003X

  ⨯
• Natália Ruggeri Barbaro,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Software, Writing – original draft

  Affiliation Department of Chemistry and Center for Structural Biology, Vanderbilt University, Nashville, Tennessee, United States of America

  ⨯
• Rocco Moretti,

  Roles Formal analysis, Investigation, Methodology

  Affiliation Department of Chemistry and Center for Structural Biology, Vanderbilt University, Nashville, Tennessee, United States of America

  ⨯
• David G. Harrison,

  Roles Conceptualization, Investigation, Methodology, Resources, Supervision, Writing – review & editing

  Affiliations Division of Clinical Pharmacology, Department of Medicine, Vanderbilt University Medical Center, Nashville, Tennessee, United States of America, Department of Molecular Physiology and Biophysics, Vanderbilt University, Nashville, Tennessee, United States of America

  ⨯
• Jens Meiler

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

  * E-mail: jens@meilerlab.org

  Affiliations Department of Chemistry and Center for Structural Biology, Vanderbilt University, Nashville, Tennessee, United States of America, Institute for Drug Discovery, Leipzig University, Leipzig, Germany

  https://orcid.org/0000-0001-8945-193X

  ⨯