About the Authors

Swati Jain

Contributed equally to this work with: Swati Jain, Jonathan D. Jou

Current address: Department of Chemistry, New York University, New York, New York, United States of America

Affiliations Computational Biology and Bioinformatics Program, Duke University, Durham, North Carolina, United States of America, Department of Computer Science, Duke University, Durham, North Carolina, United States of America, Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America

Jonathan D. Jou

Contributed equally to this work with: Swati Jain, Jonathan D. Jou

Affiliation Department of Computer Science, Duke University, Durham, North Carolina, United States of America

Ivelin S. Georgiev

Current address: Vanderbilt University School of Medicine, Nashville, Tennessee, United States of America

Affiliation Department of Computer Science, Duke University, Durham, North Carolina, United States of America

Bruce R. Donald

brd+pcb15@cs.duke.edu

Affiliations Department of Computer Science, Duke University, Durham, North Carolina, United States of America, Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America, Department of Chemistry, Duke University, Durham, North Carolina, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceptualization: SJ JDJ ISG BRD. Data curation: SJ JDJ ISG BRD. Formal analysis: SJ JDJ ISG BRD. Funding acquisition: BRD. Investigation: SJ JDJ ISG BRD. Methodology: SJ JDJ ISG BRD. Project administration: BRD. Resources: SJ JDJ ISG BRD. Software: SJ JDJ ISG BRD. Supervision: BRD. Validation: SJ JDJ ISG BRD. Visualization: SJ JDJ ISG BRD. Writing – original draft: SJ JDJ ISG BRD. Writing – review & editing: SJ JDJ ISG BRD.