About the Authors

Asaminew H. Aytenfisu

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

Affiliation University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, United States of America

Daniel Deredge

Roles Formal analysis, Visualization, Writing – review & editing

Affiliation University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, United States of America

Erik H. Klontz

Roles Writing – review & editing

Affiliation Department of Medicine, University of Maryland School of Medicine, Baltimore, Maryland, United States of America

Jonathan Du

Roles Writing – review & editing

Affiliations Department of Medicine, University of Maryland School of Medicine, Baltimore, Maryland, United States of America, Department of Biochemistry, Emory University School of Medicine, Atlanta, Georgia, United States of America

Eric J. Sundberg

Roles Conceptualization, Funding acquisition, Writing – review & editing

Affiliations Department of Medicine, University of Maryland School of Medicine, Baltimore, Maryland, United States of America, Department of Biochemistry, Emory University School of Medicine, Atlanta, Georgia, United States of America

Alexander D. MacKerell Jr

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

alex@outerbanks.umaryland.edu

Affiliation University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, United States of America

Competing Interests

I have read the journal’s policy and the authors of this manuscript have the following competing interests. ADM Jr. is cofounder and CSO of SilcsBio LLC.