About the Authors

Sulyman Barkho

Affiliation Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California, United States of America

Levi C. T. Pierce

Current address: Schrodinger, Inc, New York, New York, United States of America.

Affiliation Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California, United States of America

Maria L. McGlone

Affiliation Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California, United States of America

Sheng Li

Affiliation Department of Medicine, University of California at San Diego, La Jolla, California, United States of America

Virgil L. Woods Jr

† Deceased.

Affiliation Department of Medicine, University of California at San Diego, La Jolla, California, United States of America

Ross C. Walker

Affiliations Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California, United States of America, San Diego Supercomputer Center, University of California at San Diego, La Jolla, California, United States of America

Joseph A. Adams

Affiliation Department of Pharmacology, University of California at San Diego, La Jolla, California, United States of America

Patricia A. Jennings

pajennings@ucsd.edu

Affiliation Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: SB LCTP MLM JAA PAJ. Performed the experiments: SB LCTP MLM SL. Analyzed the data: SB LCTP JAA PAJ. Contributed reagents/materials/analysis tools: SL VLW RCW JAA PAJ. Wrote the paper: SB LCTP RCW JAA PAJ.