1. MolSoft LLC, 3366 North Torrey Pines Court, Suite 300, La Jolla, California 92037, Departments of Discovery Technologies, Chemical Technologies, Cardiovascular Biology, Structural Chemistry, and New Lead Discovery, Schering-Plough Research Institute, 2015 Galloping Hill Road, Kenilworth, New Jersey 07033, and The Scripps Research Institute, 10550 North Torrey Pines Court, La Jolla, California 92037