About the Authors

Siyu Wang

Contributed equally to this work with: Siyu Wang, Stephanie M. Reeve, Graham T. Holt, Adegoke A. Ojewole

Roles Investigation, Software, Writing – original draft

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

Stephanie M. Reeve

Contributed equally to this work with: Siyu Wang, Stephanie M. Reeve, Graham T. Holt, Adegoke A. Ojewole

Roles Investigation

Affiliation Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America

Graham T. Holt

Contributed equally to this work with: Siyu Wang, Stephanie M. Reeve, Graham T. Holt, Adegoke A. Ojewole

Roles Investigation, Software, Writing – review & editing

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

Adegoke A. Ojewole

Contributed equally to this work with: Siyu Wang, Stephanie M. Reeve, Graham T. Holt, Adegoke A. Ojewole

Roles Investigation, Software

Current address: Genentech, Inc., San Francisco, California, United States of America

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

Marcel S. Frenkel

Roles Investigation

Affiliation Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America

Pablo Gainza

Roles Conceptualization

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

Santosh Keshipeddy

Roles Investigation

Affiliation Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America

Vance G. Fowler

Roles Conceptualization

Affiliation Division of Infections Diseases, Department of Medicine, Duke University Medical Center, Durham, North Carolina, United States of America

Dennis L. Wright

Roles Conceptualization, Funding acquisition, Resources, Supervision

Affiliations Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America, Department of Chemistry, University of Connecticut, Storrs, Connecticut, United States of America

Bruce R. Donald

Roles Conceptualization, Funding acquisition, Resources, Software, Supervision, Writing – original draft, Writing – review & editing

brd+pcb21@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 Mathematics, Duke University, Durham, North Carolina, United States of America, Department of Chemistry, Duke University, Durham, North Carolina, United States of America

Competing Interests

I have read the journal’s policy and the authors of this manuscript have the following competing interests: B.R.D. and M.S.F. are founders of Ten63 Therapeutics. V.G.F. reports personal fees (consultancy) from Novartis, Novadigm, Durata, Debiopharm, Genentech, Achaogen, Affinium, Medicines Co., Cerexa, Tetraphase, Trius, MedImmune, Bayer, Theravance, Basilea, Affinergy, Janssen, xBiotech, Contrafect, Regeneron, Basilea, Destiny, Amphliphi Biosciences, Integrated Biotherapeutics, C3J. V.G.F. has grants received or pending to his institution from following entities: NIH, MedImmune, Cerexa, Forest, Actavis, Allergan, Pfizer, Advanced Liquid Logics, Theravance, Novartis, Cubist, Merck, Medical Biosurfaces, Locus, Affinergy, Contrafect, Karius, Genentech, Regeneron, Basilea, Janssen. V.G.F. received educational fees from Green Cross, Cubist, Cerexa, Durata, Theravance, Debiopharm. V.G.F. received royalties from UpToDate. V.G.F. has a pending patent on host gene expression signature diagnostic for sepsis. B.R.D. was previously a guest editor for PLoS Comp. Biol.