About the Authors

Suryani Lukman

Contributed equally to this work with: Suryani Lukman, Barry J. Grant

sl471@cam.ac.uk (SL); bgrant@mccammon.ucsd.edu (BJG)

Affiliations Department of Chemistry, University of Cambridge, Cambridge, United Kingdom, Bioinformatics Institute, Agency for Science, Technology and Research, Singapore

Barry J. Grant

Contributed equally to this work with: Suryani Lukman, Barry J. Grant

sl471@cam.ac.uk (SL); bgrant@mccammon.ucsd.edu (BJG)

Affiliations Department of Chemistry and Biochemistry, Center for Theoretical Biological Physics, University of California San Diego, La Jolla, California, United States of America, Howard Hughes Medical Institute, University of California San Diego, La Jolla, California, United States of America

Alemayehu A. Gorfe

Affiliation Department of Integrative Biology and Pharmacology, University of Texas Health Science Center, Houston, Texas, United States of America

Guy H. Grant

Affiliation Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

J. Andrew McCammon

Affiliations Department of Chemistry and Biochemistry, Center for Theoretical Biological Physics, University of California San Diego, La Jolla, California, United States of America, Department of Pharmacology, University of California 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: SL BJG AAG JAM. Performed the experiments: SL BJG. Analyzed the data: SL BJG. Contributed reagents/materials/analysis tools: BJG AAG GHG. Wrote the paper: SL BJG AAG JAM.