| Further development and validation of empirical scoring functions for structure-based binding affinity prediction R Wang, L Lai, S Wang Journal of computer-aided molecular design 16, 11-26, 2002 | 1527 | 2002 |
| The PDBbind database: Collection of binding affinities for protein− ligand complexes with known three-dimensional structures R Wang, X Fang, Y Lu, S Wang Journal of medicinal chemistry 47 (12), 2977-2980, 2004 | 1195 | 2004 |
| Comparative evaluation of 11 scoring functions for molecular docking R Wang, Y Lu, S Wang Journal of medicinal chemistry 46 (12), 2287-2303, 2003 | 1124 | 2003 |
| The PDBbind database: methodologies and updates R Wang, X Fang, Y Lu, CY Yang, S Wang Journal of medicinal chemistry 48 (12), 4111-4119, 2005 | 954 | 2005 |
| Computation of octanol− water partition coefficients by guiding an additive model with knowledge T Cheng, Y Zhao, X Li, F Lin, Y Xu, X Zhang, Y Li, R Wang, L Lai Journal of chemical information and modeling 47 (6), 2140-2148, 2007 | 891 | 2007 |
| Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization Z Nikolovska-Coleska, R Wang, X Fang, H Pan, Y Tomita, P Li, PP Roller, ... Analytical biochemistry 332 (2), 261-273, 2004 | 656 | 2004 |
| Comparative assessment of scoring functions: the CASF-2016 update M Su, Q Yang, Y Du, G Feng, Z Liu, Y Li, R Wang Journal of chemical information and modeling 59 (2), 895-913, 2018 | 646 | 2018 |
| A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells H Song, R Wang, S Wang, J Lin Proceedings of the National Academy of Sciences 102 (13), 4700-4705, 2005 | 645 | 2005 |
| Comparative assessment of scoring functions on a diverse test set T Cheng, X Li, Y Li, Z Liu, R Wang Journal of chemical information and modeling 49 (4), 1079-1093, 2009 | 603 | 2009 |
| PDB-wide collection of binding data: current status of the PDBbind database Z Liu, Y Li, L Han, J Li, J Liu, Z Zhao, W Nie, Y Liu, R Wang Bioinformatics 31 (3), 405-412, 2015 | 595 | 2015 |
| A new atom-additive method for calculating partition coefficients R Wang, Y Fu, L Lai Journal of chemical information and computer sciences 37 (3), 615-621, 1997 | 576 | 1997 |
| Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three … Z Nikolovska-Coleska, L Xu, Z Hu, Y Tomita, P Li, PP Roller, R Wang, ... Journal of medicinal chemistry 47 (10), 2430-2440, 2004 | 481 | 2004 |
| Forging the basis for developing protein–ligand interaction scoring functions Z Liu, M Su, L Han, J Liu, Q Yang, Y Li, R Wang Accounts of chemical research 50 (2), 302-309, 2017 | 452 | 2017 |
| LigBuilder: a multi-purpose program for structure-based drug design R Wang, Y Gao, L Lai Molecular modeling annual 6, 498-516, 2000 | 430 | 2000 |
| SCORE: A new empirical method for estimating the binding affinity of a protein-ligand complex R Wang, L Liu, L Lai, Y Tang Molecular modeling annual 4, 379-394, 1998 | 412 | 1998 |
| Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results Y Li, L Han, Z Liu, R Wang Journal of chemical information and modeling 54 (6), 1717-1736, 2014 | 397 | 2014 |
| CRISPR-Cpf1 assisted genome editing of Corynebacterium glutamicum Y Jiang, F Qian, J Yang, Y Liu, F Dong, C Xu, B Sun, B Chen, X Xu, Y Li, ... Nature communications 8 (1), 15179, 2017 | 395 | 2017 |
| Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins G Wang, Z Nikolovska-Coleska, CY Yang, R Wang, G Tang, J Guo, ... Journal of medicinal chemistry 49 (21), 6139-6142, 2006 | 388 | 2006 |
| How does consensus scoring work for virtual library screening? An idealized computer experiment R Wang, S Wang Journal of Chemical Information and Computer Sciences 41 (5), 1422-1426, 2001 | 376 | 2001 |
| Classification of current scoring functions J Liu, R Wang Journal of chemical information and modeling 55 (3), 475-482, 2015 | 352 | 2015 |
Luhua LaiProfessor of Chemistry, Peking UniversityVerificeret mail på pku.edu.cn