师资队伍

研究方向

药物设计与人工智能药物研发

代表性科研论文

1. 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 research2018, gkx380.

2. Feng, F.; Lai L.; Pei, J.*, Computational chemical synthesis analysis and pathway design,Frontiers in Chemistry2018

3. 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

4. Zhang, W.; Pei, J.*; Lai, L.*, Computational multitarget drug design. Journal of chemical information and modeling 2017, 57 (3), 403-412.

5. 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 modeling2017, 57 (11), 2672-2685.

6. 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.

7. Sun, T.; Zhou, B.; Lai, L.; Pei, J.*, Sequence-based prediction of protein protein interaction using a deep-learning algorithm.BMC Bioinformatics2017, 18 (1), 277.

8. Gu, S.; Pei, J.*, Innovating Chinese Herbal Medicine: From Traditional Health Practice to Scientific Drug Discovery.Frontiers in pharmacology 2017, 8, 381.

9. Li, T.; Yin, N.; Liu, H.; Pei, J.*; Lai, L., Novel inhibitors of toxin HipA reduce multidrug tolerant persisters.ACS medicinal chemistry letters2016, 7 (5), 449-453.

10. 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 Sciences2015, 112 (30), E4046-E4054.

11. Xu, Y.; Dai, Z.; Chen, F.; Gao, S.; Pei, J.*; Lai, L.*, Deep learning for drug-induced liver injury.Journal of chemical information and modeling2015, 55 (10), 2085-2093.

12. 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 cheminformatics2014, 6 (1), 28.

13. 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 modeling2014, 54 (4), 1235-1241.

14. Pei, J.; Yin, N.; Ma, X.; Lai, L., Systems biology brings new dimensions for structure-based drug design.Journal of the American Chemical Society2014, 136 (33), 11556-11565.

15. Yuan, Y.; Pei, J.*; Lai, L., Binding site detection and druggability prediction of protein targets for structure-based drug design.Current pharmaceutical design2013, 19 (12), 2326-2333.

16. 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 BioSystems2013, 9 (11), 2696-2700.

17. Yuan, Y.; Pei, J.*; Lai, L.*, LigBuilder 2: a practical de novo drug design approach.Journal of chemical information and modeling2011, 51 (5), 1083-1091.