1. Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States
2. Schrödinger, Inc., 9868 Scranton Road, San Diego, California 92121, United States
3. Schrödinger, Inc., 1540 Broadway, New York, New York 10036, United States
4. Biophysics Program, University of Michigan, Ann Arbor, Michigan 48109, United States