About the Authors

Robert Kalescky

Contributed equally to this work with: Robert Kalescky, Hongyu Zhou

Current address: Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

Hongyu Zhou

Contributed equally to this work with: Robert Kalescky, Hongyu Zhou

Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

Jin Liu

jin.liu@unthsc.edu (JL); ptao@smu.edu (PT)

Affiliations Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America, Department of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, University of North Texas Health Science Center, Fort Worth, Texas, United States of America

Peng Tao

jin.liu@unthsc.edu (JL); ptao@smu.edu (PT)

Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: JL PT. Performed the experiments: RK HZ. Analyzed the data: RK HZ JL PT. Wrote the paper: RK HZ JL PT.