Edward Harder1, Wolfgang Damm1, Jon R. Maple1, Chuanjie Wu1, Mark Reboul1, Jin Yu Xiang1, Lingle Wang1, Dmitry Lupyan1, Markus K. Dahlgren1, Jennifer L. Knight1, Joseph W. Kaus1, David S. Cerutti1, Goran Krilov1, William L. Jorgensen2, Robert Abel1, Richard A. Friesner3
1Schrodinger, Inc., 120
West 45th Street, New
York, New York 10036, United States
2Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States
3Department
of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States