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 | 1069 | 2017 |
Sequence-based prediction of protein protein interaction using a deep-learning algorithm T Sun, B Zhou, L Lai, J Pei BMC bioinformatics 18, 1-8, 2017 | 405 | 2017 |
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 | 387 | 2004 |
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 | 365 | 2015 |
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 | 287 | 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 | 284 | 2018 |
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 | 242 | 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 | 223 | 2011 |
Binding site detection and druggability prediction of protein targets for structure-based drug design Y Yuan, J Pei, L Lai Current pharmaceutical design 19 (12), 2326-2333, 2013 | 197 | 2013 |
Computational multitarget drug design W Zhang, J Pei, L Lai Journal of chemical information and modeling 57 (3), 403-412, 2017 | 194 | 2017 |
Automatic retrosynthetic route planning using template-free models K Lin, Y Xu, J Pei, L Lai Chemical science 11 (12), 3355-3364, 2020 | 190 | 2020 |
Synergistic and antagonistic drug combinations depend on network topology N Yin, W Ma, J Pei, Q Ouyang, C Tang, L Lai PloS one 9 (4), e93960, 2014 | 175 | 2014 |
Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors L Zhou, Y Liu, W Zhang, P Wei, C Huang, J Pei, Y Yuan, L Lai Journal of medicinal chemistry 49 (12), 3440-3443, 2006 | 172 | 2006 |
Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching D Wei, X Jiang, L Zhou, J Chen, Z Chen, C He, K Yang, Y Liu, J Pei, L Lai Journal of medicinal chemistry 51 (24), 7882-7888, 2008 | 158 | 2008 |
Structure-based de novo drug design using 3D deep generative models Y Li, J Pei, L Lai Chemical science 12 (41), 13664-13675, 2021 | 153 | 2021 |
Deep learning for molecular generation Y Xu, K Lin, S Wang, L Wang, C Cai, C Song, L Lai, J Pei Future medicinal chemistry 11 (6), 567-597, 2019 | 136 | 2019 |
H2A. Z facilitates licensing and activation of early replication origins H Long, L Zhang, M Lv, Z Wen, W Zhang, X Chen, P Zhang, T Li, L Chang, ... Nature 577 (7791), 576-581, 2020 | 132 | 2020 |
Prediction of liquid–liquid phase separating proteins using machine learning X Chu, T Sun, Q Li, Y Xu, Z Zhang, L Lai, J Pei BMC bioinformatics 23 (1), 72, 2022 | 125 | 2022 |
Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach S Ni, Y Yuan, J Huang, X Mao, M Lv, J Zhu, X Shen, J Pei, L Lai, H Jiang, ... Journal of medicinal chemistry 52 (17), 5295-5298, 2009 | 120 | 2009 |
Prediction of human cytochrome P450 inhibition using a multitask deep autoencoder neural network X Li, Y Xu, L Lai, J Pei Molecular pharmaceutics 15 (10), 4336-4345, 2018 | 116 | 2018 |