About the Authors

Philip E. Bourne

pbourne@ucsd.edu

Affiliation Skaggs School of Pharmacy & Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America

Bojan Beran

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

Chunxiao Bi

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

Wolfgang Bluhm

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

Roland Dunbrack

Affiliation Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, Pennsylvania, United States of America

Andreas Prlić

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

Greg Quinn

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

Peter Rose

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

Raship Shah

Affiliation Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, New Jersey, United States of America

Wendy Tao

Affiliation Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, New Jersey, United States of America

Brian Weitzner

Current address: Department of Chemical & Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, United States of America

Affiliation Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, Pennsylvania, United States of America

Ben Yukich

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

Competing Interests

The authors have declared that no competing interests exist.