1. Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States
2. Laboratory for Molecular Modeling and Design, Department of Pharmacy, Federal University of Goias, Goiania, GO 74605-170, Brazil
3. Department of Computer Science, University of North Carolina, Chapel Hill, North Carolina 27599, United States
4. Department of Chemical Technology, Odessa National Polytechnic University, Odessa, 65000, Ukraine