1. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093-0736, United States
2. OpenEye Scientific Software, Inc., 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, United States
3. AtomWise, Inc., 717 Market Street, Suite 800, San Francisco, California 94103, United States
4. Department of Chemistry, University of California Davis, One Shields Avenue, Davis, California 95616, United States