About the Authors

Pei-Chi Yang

Contributed equally to this work with: Pei-Chi Yang, Shweta Purawat

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

Affiliation Department of Physiology and Membrane Biology, Department of Pharmacology, School of Medicine, University of California Davis, Davis, California, United States of America

Shweta Purawat

Contributed equally to this work with: Pei-Chi Yang, Shweta Purawat

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

Affiliation San Diego Supercomputer Center (SDSC), University of California, San Diego, La Jolla, California, United States of America

Pek U. Ieong

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration

Affiliation Department of Chemistry and Biochemistry, National Biomedical Computation Resource, Drug Design Data Resource (D3R), University of California San Diego, La Jolla, California, United States of America

Mao-Tsuen Jeng

Roles Conceptualization, Investigation, Methodology, Software, Validation, Visualization

Affiliation Department of Physiology and Membrane Biology, Department of Pharmacology, School of Medicine, University of California Davis, Davis, California, United States of America

Kevin R. DeMarco

Roles Methodology, Writing – original draft

Affiliation Department of Physiology and Membrane Biology, Department of Pharmacology, School of Medicine, University of California Davis, Davis, California, United States of America

Igor Vorobyov

Roles Conceptualization, Formal analysis, Methodology, Writing – original draft

Affiliation Department of Physiology and Membrane Biology, Department of Pharmacology, School of Medicine, University of California Davis, Davis, California, United States of America

Andrew D. McCulloch

Roles Formal analysis, Funding acquisition, Project administration, Resources, Validation, Writing – original draft, Writing – review & editing

Affiliation Departments of Bioengineering and Medicine, University of California, San Diego, La Jolla, California, United States of America

Ilkay Altintas

Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision

Affiliation San Diego Supercomputer Center (SDSC), University of California, San Diego, La Jolla, California, United States of America

Rommie E. Amaro

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

Affiliation Department of Chemistry and Biochemistry, National Biomedical Computation Resource, Drug Design Data Resource (D3R), University of California San Diego, La Jolla, California, United States of America

Colleen E. Clancy

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

ceclancy@ucdavis.edu

Affiliation Department of Physiology and Membrane Biology, Department of Pharmacology, School of Medicine, University of California Davis, Davis, California, United States of America

Competing Interests

The authors have declared that no competing interests exist.