About the Authors

Yang Jiang

Roles Conceptualization, Data curation, Investigation, Methodology, Writing – original draft, Writing – review & editing

Affiliation Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania, United States of America

Charlotte M. Deane

Roles Writing – review & editing

Affiliation Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles’ Oxford, OX1 3LB United Kingdom

Garrett M. Morris

Roles Resources, Software, Writing – review & editing

Affiliation Oxford Protein Informatics Group, Department of Statistics, University of Oxford, 24-29 St Giles’ Oxford, OX1 3LB United Kingdom

Edward P. O’Brien

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

epo2@psu.edu

Affiliations Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania, United States of America, Bioinformatics and Genomics Graduate Program, The Huck Institutes of the Life Sciences, Pennsylvania State University, University Park, Pennsylvania, United States of America, Institute for Computational and Data Sciences, Pennsylvania State University, University Park, Pennsylvania, United States of America

Competing Interests

The authors have declared that no competing interests exist.