1 Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, 3501 Terrace Street, 529 Salk Hall, Pittsburgh, Pennsylvania, 15261, USA.
2 NIDA National Center of Excellence for Computational Drug Abuse Research, Pittsburgh, Pennsylvania, USA.
3 Drug Discovery Institute, Pittsburgh, Pennsylvania, USA.
4 Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, 3501 Terrace Street, 529 Salk Hall, Pittsburgh, Pennsylvania, 15261, USA. [email protected].
5 NIDA National Center of Excellence for Computational Drug Abuse Research, Pittsburgh, Pennsylvania, USA. [email protected].
6 Drug Discovery Institute, Pittsburgh, Pennsylvania, USA. [email protected].
7 Departments of Computational Biology and of Structural Biology, University of Pittsburgh, Pittsburgh, Pennsylvania, 15261, USA. [email protected].