1. Schrödinger Inc. 120 W 45th St, 17th Floor New York NY 10036 USA
2. Department of Chemistry University of Waterloo 200 University Ave W Waterloo ON N2L 3G1 Canada
3. Donnelly Centre University of Toronto Toronto Ontario M5S 3E1 Canada
4. Department of Molecular Genetics University of Toronto Toronto Ontario M5S 1A8 Canada