1. Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States
2. Simons Center for Computational Chemistry and Center for Data Science, New York University, New York, New York 10004, United States
3. Pharmaceutical Research Center, Advanced Drug Discovery, Asahi Kasei Pharma Corporation, Shizuoka 410-2321, Japan
4. Tri-Institutional PhD Program in Computational Biology and Medicine, Weill Cornell Medical College, Cornell University, New York, New York 10065, United States
5. Open Molecular Sciences Foundation, Davis, California 95618, United States