研究方向
药物设计与人工智能药物研发
代表性科研论文
Xu, Y.; Wang, S.; Hu, Q.; Gao, S.; Ma, X.; Zhang, W.; Shen, Y.; Chen, F.; Lai, L.*; Pei, J.*, CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Nucleic acids research 2018, gkx380.
Feng, F.; Lai L.; Pei, J.*, Computational chemical synthesis analysis and pathway design, Frontiers in Chemistry 2018
li, X.; Xu, Y.; Lai L.; Pei, J.*, Prediction of human cytochrome P450 inhibition using a multi-task deep autoencoder neural network . Molecular Pharmaceutics, 2018
Zhang, W.; Pei, J.*; Lai, L.*, Computational multitarget drug design. Journal of chemical information and modeling 2017, 57 (3), 403-412.
Xu, Y.; Pei, J.*; Lai, L.*, Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. Journal of chemical information and modeling 2017, 57 (11), 2672-2685.
Wang, X.; Shen, Y.; Wang, S.; Li, S.; Zhang, W.; Liu, X.; Lai, L.; Pei, J.*; Li, H.*, PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic acids research 2017, gkx374.
Sun, T.; Zhou, B.; Lai, L.; Pei, J.*, Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinformatics 2017, 18 (1), 277.
Gu, S.; Pei, J.*, Innovating Chinese Herbal Medicine: From Traditional Health Practice to Scientific Drug Discovery. Frontiers in pharmacology 2017, 8, 381.
Li, T.; Yin, N.; Liu, H.; Pei, J.*; Lai, L., Novel inhibitors of toxin HipA reduce multidrug tolerant persisters. ACS medicinal chemistry letters 2016, 7 (5), 449-453.
Zhao, L.; Sun, T.; Pei, J.*; Ouyang, Q.*, Mutation-induced protein interaction kinetics changes affect apoptotic network dynamic properties and facilitate oncogenesis. Proceedings of the National Academy of Sciences 2015, 112 (30), E4046-E4054.
Xu, Y.; Dai, Z.; Chen, F.; Gao, S.; Pei, J.*; Lai, L.*, Deep learning for drug-induced liver injury. Journal of chemical information and modeling 2015, 55 (10), 2085-2093.
Wang, X.; Chen, H.; Yang, F.; Gong, J.; Li, S.; Pei, J.*; Liu, X.; Jiang, H.; Lai, L.; Li, H.*, i Drug: a web-accessible and interactive drug discovery and design platform. Journal of cheminformatics 2014, 6 (1), 28.
Shang, E.; Yuan, Y.; Chen, X.; Liu, Y.*; Pei, J.*; Lai, L.*, De novo design of multitarget ligands with an iterative fragment-growing strategy. Journal of chemical information and modeling 2014, 54 (4), 1235-1241.
Pei, J.; Yin, N.; Ma, X.; Lai, L., Systems biology brings new dimensions for structure-based drug design. Journal of the American Chemical Society 2014, 136 (33), 11556-11565.
Yuan, Y.; Pei, J.*; Lai, L., Binding site detection and druggability prediction of protein targets for structure-based drug design. Current pharmaceutical design 2013, 19 (12), 2326-2333.
Gu, S.; Yin, N.; Pei, J.*; Lai, L., Understanding molecular mechanisms of traditional Chinese medicine for the treatment of influenza viruses infection by computational approaches. Molecular BioSystems 2013, 9 (11), 2696-2700.
Yuan, Y.; Pei, J.*; Lai, L.*, LigBuilder 2: a practical de novo drug design approach. Journal of chemical information and modeling 2011, 51 (5), 1083-1091.
