1. Department of Chemistry, Institute
for Biophysical Dynamics, James Franck Institute and Computation Institute, The University of Chicago, 5735 South Ellis Avenue,
Chicago, Illinois 60637, United States
2. Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New
York 10036, United States
3. Schrödinger, Inc., 101 Southwest Main Street, Suite 1300, Portland,
Oregon 97204, United States