1. Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States
2. Department of Applied Physical Sciences, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27516, United States
3. Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27516, United States
4. School of Pharmacy, University of Nottingham, Nottingham NG7 2QL, United Kingdom
5. Department of Biochemistry and Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086, Australia
6. Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia