| 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 (1), 11-26, 2002 | 1603 | 2002 |
| PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database X Wang, Y Shen, S Wang, S Li, W Zhang, X Liu, L Lai, J Pei, H Li Nucleic acids research 45 (W1), W356-W360, 2017 | 1420 | 2017 |
| 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 | 1016 | 2007 |
| 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 | 591 | 1997 |
| Sequence-based prediction of protein protein interaction using a deep-learning algorithm T Sun, B Zhou, L Lai, J Pei BMC bioinformatics 18 (1), 277, 2017 | 464 | 2017 |
| Arabidopsis pollen tube integrity and sperm release are regulated by RALF-mediated signaling Z Ge, T Bergonci, Y Zhao, Y Zou, S Du, MC Liu, X Luo, H Ruan, ... Science 358 (6370), 1596-1600, 2017 | 462 | 2017 |
| LigBuilder: a multi-purpose program for structure-based drug design R Wang, Y Gao, L Lai Molecular modeling annual 6 (7), 498-516, 2000 | 439 | 2000 |
| Deep learning for drug-induced liver injury Y Xu, Z Dai, F Chen, S Gao, J Pei, L Lai Journal of chemical information and modeling 55 (10), 2085-2093, 2015 | 429 | 2015 |
| 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 (12), 379-394, 1998 | 419 | 1998 |
| Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase K Fan, P Wei, Q Feng, S Chen, C Huang, L Ma, B Lai, J Pei, Y Liu, J Chen, ... Journal of Biological Chemistry 279 (3), 1637-1642, 2004 | 401 | 2004 |
| Transfer learning for drug discovery C Cai, S Wang, Y Xu, W Zhang, K Tang, Q Ouyang, L Lai, J Pei Journal of Medicinal Chemistry 63 (16), 8683-8694, 2020 | 392 | 2020 |
| CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction Y Xu, S Wang, Q Hu, S Gao, X Ma, W Zhang, Y Shen, F Chen, L Lai, J Pei Nucleic acids research 46 (W1), W374-W379, 2018 | 387 | 2018 |
| Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro H Liu, F Ye, Q Sun, H Liang, C Li, S Li, R Lu, B Huang, W Tan, L Lai Journal of enzyme inhibition and medicinal chemistry 36 (1), 497-503, 2021 | 376 | 2021 |
| Synthesis, fungicidal activity, and 3D-QSAR of pyridazinone-substituted 1, 3, 4-oxadiazoles and 1, 3, 4-thiadiazoles XJ Zou, LH Lai, GY Jin, ZX Zhang Journal of agricultural and food chemistry 50 (13), 3757-3760, 2002 | 376 | 2002 |
| A protein engineered to bind uranyl selectively and with femtomolar affinity L Zhou, M Bosscher, C Zhang, S Özçubukçu, L Zhang, W Zhang, CJ Li, ... Nature chemistry 6 (3), 236-241, 2014 | 352 | 2014 |
| Ch··· o hydrogen bonds at protein-protein interfaces* 210 L Jiang, L Lai Journal of Biological Chemistry 277 (40), 37732-37740, 2002 | 291 | 2002 |
| Calculating partition coefficient by atom-additive method R Wang, Y Gao, L Lai Perspectives in Drug Discovery and Design 19 (1), 47-66, 2000 | 276 | 2000 |
| Deep learning based regression and multiclass models for acute oral toxicity prediction with automatic chemical feature extraction Y Xu, J Pei, L Lai Journal of chemical information and modeling 57 (11), 2672-2685, 2017 | 271 | 2017 |
| LigBuilder 2: A Practical de Novo Drug Design Approach Y Yuan, J Pei, L Lai Journal of chemical information and modeling 51 (5), 1083-1091, 2011 | 251 | 2011 |
| Automatic retrosynthetic route planning using template-free models K Lin, Y Xu, J Pei, L Lai Chemical science 11 (12), 3355-3364, 2020 | 249 | 2020 |
Jianfeng PeiPeking UniversityVerified email at pku.edu.cn
