Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV

• Simone Conti,

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

  Affiliation Department of Chemistry and Chemical Biology, Harvard, Cambridge, Massachusetts, United States of America

  https://orcid.org/0000-0001-7986-567X

  ⨯
• Victor Ovchinnikov,

  Roles Formal analysis, Investigation, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry and Chemical Biology, Harvard, Cambridge, Massachusetts, United States of America

  ⨯
• Jonathan G. Faris,

  Roles Investigation, Software, Validation, Writing – review & editing

  Affiliation Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado, United States of America

  ⨯
• Arup K. Chakraborty,

  Roles Conceptualization, Funding acquisition, Investigation, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing

  Affiliations Institute for Medical Engineering and Science, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts, United States of America, Department of Chemical Engineering, MIT, Cambridge, Massachusetts, United States of America, Department of Physics, MIT, Cambridge, Massachusetts, United States of America, Ragon Institute of MGH, MIT and Harvard, Cambridge, Massachusetts, United States of America, Department of Chemistry, MIT, Cambridge, Massachusetts, United States of America

  https://orcid.org/0000-0003-1268-9602

  ⨯
• Martin Karplus ,

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

  * E-mail: marci@tammy.harvard.edu (MK); kayla.sprenger@colorado.edu (KGS)

  Affiliations Department of Chemistry and Chemical Biology, Harvard, Cambridge, Massachusetts, United States of America, Laboratoire de Chimie Biophysique, Institut de Science et d’Ingénierie Supramoléculaires, Université de Strasbourg, Strasbourg, France

  ⨯
• Kayla G. Sprenger

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

  * E-mail: marci@tammy.harvard.edu (MK); kayla.sprenger@colorado.edu (KGS)

  Affiliation Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado, United States of America

  https://orcid.org/0000-0002-7505-7920

  ⨯