1. State Key Laboratory of Natural Medicines, Department of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University, Nanjing 210009, China
2. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China
3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China
4. The Computer Center, School of Computer Science and Software Engineering, East China Normal University, Shanghai 200062, China