1. Collaborations Pharmaceuticals, Inc., Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States
2. The Rutgers Center for Computational and Integrative Biology, Camden, New Jersey 08102, United States
3. Molecular Materials Informatics, Inc., 2234 Duvernay Street, Montreal, Quebec H3J2Y3, Canada
4. Bach Institute of Biochemistry, Research Center of Biotechnology of the Russian Academy of Sciences, Leninsky Prospekt 33-2, Moscow 119071, Russia