About the Authors
- J. Brian Jameson II
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Affiliation Chemistry and Biochemistry Department, University of California Santa Cruz, Santa Cruz, California, United States of America
- Auric Kantz
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Affiliation Chemistry and Biochemistry Department, University of California Santa Cruz, Santa Cruz, California, United States of America
- Lena Schultz
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Affiliation National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, Maryland, United States of America
- Chakrapani Kalyanaraman
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Affiliation Department of Pharmaceutical Chemistry, School of Pharmacy, University of California San Francisco, San Francisco, California, United States of America
- Matthew P. Jacobson
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Affiliation Department of Pharmaceutical Chemistry, School of Pharmacy, University of California San Francisco, San Francisco, California, United States of America
- David J. Maloney
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Affiliation National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, Maryland, United States of America
- Ajit Jadhav
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Affiliation National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, Maryland, United States of America
- Anton Simeonov
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* E-mail: asimeono@mail.nih.gov (AS); tholman@chemistry.ucsc.edu (TRH)
Affiliation National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, Maryland, United States of America
- Theodore R. Holman
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* E-mail: asimeono@mail.nih.gov (AS); tholman@chemistry.ucsc.edu (TRH)
Affiliation Chemistry and Biochemistry Department, University of California Santa Cruz, Santa Cruz, California, United States of America
Competing Interests
MPJ is a consultant to Schrodinger LLC, which develops and distributes software used in this study.
Author Contributions
Conceived and designed the experiments: JBJ DJM AJ AS TRH CK MPJ. Performed the experiments: JBJ AK LS AJ AS TRH CK MPJ. Analyzed the data: JBJ AK LS DJM AJ AS TRH CK MPJ. Contributed reagents/materials/analysis tools: JBJ AK LS DJM AJ AS TRH CK MPJ. Contributed to the writing of the manuscript: JBJ DJM AJ AS TRH CK MPJ.