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Ruan H., Sun Q., Zhang W., Liu Y., Lai L. Targeting intrinsically disordered proteins at the edge of chaos.2019 Jan;24(1):217-227
Xu Y., Lin K., Wang S., Wang L., Cai C., Song C., Lai L., and Pei J. Deep learning for molecular generation.Future Med Chem. 2019 Jan 30.
Gu S. and Lai L. Associating 197 Chinese Herbal Medicine With Drug Targets and Diseases Using the Similarity Ensemble Approach. Acta Pharmacol Sin. 2019 Sep 17.
Zhang W., Xie J., and Lai L. Correlation Between Allosteric and Orthosteric Sites. Adv Exp Med Biol. 2019;1163:89-105.
Yang W., Zhang Q., Zhang C., Guo A., Wang Y., You H., Zhang X., Lai L.Computational design and optimization of novel d-peptide TNFα inhibitors. FEBS Lett. 2019 Jun;593(12):1292-1302.
Yang W., Sun X., Zhang C., Lai L. Discovery of novel helix binding sites at protein-protein interfaces. Comput Struct Biotechnol J. 2019 Nov 11;17:1396-1403.
Li Y., Xu Y., Jiang M., Li B., Han T., Chi C., Lin F., Shen B., Zhu X., Lai L., Fang Z. Self-Learning Perfect Optical Chirality via a Deep Neural Network.Phys Rev Lett. 2019 Nov 22;123(21):213902.
Zhou H., Song Z., Zhong S., Zuo L., Qi Z., Qu LJ, Lai L. Mechanism of DNA-Induced Phase Separation for Transcriptional Repressor VRN1.Angew Chem Int Ed Engl. 2019 Apr 1;58(15):4858-4862.
Liu H., Liang H., Meng H., Deng X., Zhang X., & Lai L. (2018). A novel allosteric inhibitor that prevents IKKβ activation. Med Chem Comm. 2018 Jan 9;9(2):239-243.
Li X., Xu Y., Lai L., Pei J. Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network. Mol Pharm. 2018 Oct 1;15(10):4336-4345
Feng F., Lai L., and Pei J. Computational Chemical Synthesis Analysis and Pathway Design. Frontiers in Chemistry, 2018 Jun 5; 6:199
Gao S. and Lai L. Synthetic lethality in drug development: the dawn is coming. Future Medicinal Chemistry, 2018 Sep 1; 10(18): 2129-2132 .
Xu Y., Wang S., Hu Q., et al. CavityPlus: A Web Server for Protein Cavity Detection with Pharmacophore Modelling, Allosteric Site Identification and Covalent Ligand Binding Ability Prediction. Nucleic Acids Research, 2018 Jul 2; 46: 374-379.
Li C., Deng X., Xie X., Liu Y., José Pedro Friedmann Angeli, Lai L. Front Pharmacol. 2018; 9: 1120. Published online 2018 Oct 3
Michael A. Reid, Annamarie E. Allen, Shiyu Liu, Maria V. Liberti, Pei Liu, Xiaojing Liu, Ziwei Dai, Xia Gao, Qian Wang, Ying Liu, Luhua Lai, Jason W. Locasale. Nat Commun. 2018; 9: 5442. Published online 2018 Dec 21.
Hu Q., Feng M., Lai L., Pei J. Front Genet. 2018; 9: 585. Published online 2018 Nov 27.
Deng X., Zhang X., Tang B., Liu H., Shen Q., Liu Y., and Lai L. Design, Synthesis, and Evaluation of Dihydrobenzo[cd]indole-6-sulfonamide as TNF-α Inhibitors. Published online 2018 Apr 4
Sun T., Lai L., Pei J. Analysis of protein features and machine learning algorithms for prediction of druggable proteins.
Meng H., Dai Z., Zhang W., Liu Y., and Lai L. Molecular mechanism of 15-lipoxygenase allosteric activation and inhibition.Phys Chem Chem Phys. 2018 May 30;20(21):14785-14795.
Sun T, Zhou B, Lai L, Pei J. Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinformatics. 2017 May 25;18(1):277.
Zhang X, Yin N, Guo A, Zhang Q, Zhang Y, Xu Y, Liu H, Tang B, Lai L. NF-κB signaling and cell-fate decision induced by a fast-dissociating tumor necrosis factor mutant. Biochem Biophys Res Commun. 2017 Jul 29;489(3):287-292.
Zhang W, Pei J, Lai L. Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues. J Chem Inf Model. 2017 Jun 26;57(6):1453-1460.
Zhang W, Pei J, Lai L. Computational Multitarget Drug Design. J Chem Inf Model. 2017 Mar 27;57(3):403-412.
Wang Q, Liberti MV, Liu P, Deng X, Liu Y, Locasale JW, Lai L. Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity. Cell Chem Biol. 2017 Jan 19;24(1):55-65.
Xu Y, Pei J, Lai L. Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. J Chem Inf Model. 2017 Nov 27;57(11):2672-2685.
Liu Y, Liu D, Yang W, Wu XL, Lai L, Zhang WB. Tuning SpyTag-SpyCatcher mutant pairs toward orthogonal reactivity encryption. Chem Sci. 2017 Sep 1;8(9):6577-6582
Yang W, Lai L. Computational design of ligand-binding proteins. Curr Opin Struct Biol. 2017 Aug;45:67-73
Zhang X, Yin N, Guo A, Zhang Q, Zhang Y, Xu Y, Liu H, Tang B, Lai L. NF-κB signaling and cell-fate decision induced by a fast-dissociating tumor necrosis factor mutant. Biochem Biophys Res Commun. 2017 Jul 29;489(3):287-292
Zhang W, Pei J, Lai L. Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues. J Chem Inf Model. 2017 Jun 26;57(6):1453-1460
Chen F, Zhuo X, Qin T, Guo X, Zhang C, Lai L. Designed inhibitor for nuclear localization signal of polo-like kinase 1 induces mitotic arrest. Chem Biol Drug Des. 2017 May;89(5):732-740
Zhang W, Pei J, Lai L. Computational Multitarget Drug Design. J Chem Inf Model. 2017 Mar 27;57(3):403-412
Gu S, Pei J. Chinese Herbal Medicine Meets Biological Networks of Complex Diseases: A Computational Perspective. Evid Based Complement Alternat Med. 2017;2017:7198645
Gu S, Pei J. Innovating Chinese Herbal Medicine: From Traditional Health Practice to Scientific Drug Discovery. Front Pharmacol. 2017 Jun 16;8:381
徐优俊, 裴剑锋*, 深度学习及其在化学信息学中的应用, 大数据, 2017, 3(3), 45-66.
Guan Z, Cai T, Liu Z, Dou Y, Hu X, Zhang P, Sun X, Li H, Kuang Y, Zhai Q, Ruan H, Li X, Li Z, Zhu Q, Mai J, Wang Q, Lai L, Ji J, Liu H, Xia B, Jiang T, Luo SJ, Wang HW, Xie C. Origin of the Reflectin Gene and Hierarchical Assembly of Its Protein. Curr Biol. 2017 Sep 25;27(18):2833-2842.e6
Ge Z, Bergonci T, Zhao Y, Zou Y, Du S, Liu MC, Luo X, Ruan H, García-Valencia LE, Zhong S, Hou S, Huang Q, Lai L, Moura DS, Gu H, Dong J, Wu HM, Dresselhaus T, Xiao J, Cheung AY, Qu LJ. Arabidopsis pollen tube integrity and sperm release are regulated by RALF-mediated signaling. Science. 2017 Dec
Xie LJ, Cui Z, Chen FJ, Pei ZY, Hu SY, Gu QH, Jia XY, Zhu L, Zhou XJ, Zhang H, Liao YH, Lai LH, Hudson BG, Zhao MH. The susceptible HLA class II alleles and their presenting epitope(s) in Goodpasture's disease. Immunology. 2017 Aug;151(4):395-404
Cui Z, Xie LJ, Chen FJ, Pei ZY, Zhang LJ, Qu Z, Huang J, Gu QH, Zhang YM, Wang X, Wang F, Meng LQ, Liu G, Zhou XJ, Zhu L, Lv JC, Liu F, Zhang H, Liao YH, Lai LH, Ronco P, Zhao MH. MHC Class II Risk Alleles and Amino Acid Residues in Idiopathic Membranous Nephropathy. J Am Soc Nephrol. 2017 May;28(5
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 Res. 2017 Jul 3;45(W1):W356-W36
Li C, Teng X, Qi Y, Tang B, Shi H, Ma X, Lai L. Conformational Flexibility of a Short Loop near the Active Site of the SARS-3CLpro is Essential to Maintain Catalytic Activity. Sci Rep. 2016 Feb 16;6:20918.
Yun T, Qin T, Liu Y, Lai L. Discovery of Non-ATP-Competitive Inhibitors of Polo-like Kinase 1. ChemMedChem. 2016 Apr 5;11(7):713-7.
Li T, Yin N, Liu H, Pei J, Lai L. Novel Inhibitors of Toxin HipA Reduce Multidrug Tolerant Persisters. ACS Med Chem Lett. 2016 Mar 13;7(5):449-53.
Meng H, McClendon CL, Dai Z, Li K, Zhang X, He S, Shang E, Liu Y, Lai L. Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution. J Med Chem. 2016 May 12;59(9):4202-9.
Yang W, Lai L. Computational design of ligand-binding proteins. Curr Opin Struct Biol. 2016 Dec 9;45:67-73. doi: 10.1016/j.sbi.2016.11.021. [Epub ahead of print] Review.
Chen F, Zhuo X, Qin T, Guo X, Zhang C, Lai L. Designed inhibitor for nuclear localization signal of polo-like kinase 1 induces mitotic arrest. Chem Biol Drug Des. 2016 Nov 24. doi: 10.1111/cbdd.12896. [Epub ahead of print]
Liang H, Ruan H, Ouyang Q, Lai L. Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine. Sci Rep. 2016 Nov 11;6:36767.
Zhu C, Zhang C, Zhang T, Zhang X, Shen Q, Tang B, Liang H, Lai L. Rational design of TNFα binding proteins based on the de novo designed protein DS119. Protein Sci. 2016 Nov;25(11):2066-2075.
Yun T, Qin T, Liu Y, Lai L. Identification of acylthiourea derivatives as potent Plk1 PBD inhibitors. Eur J Med Chem. 2016 Nov 29;124:229-236. doi: 10.1016/j.ejmech.2016.08.043.
Ma X, Meng H, Lai L. Motions of Allosteric and Orthosteric Ligand-Binding Sites in Proteins are Highly Correlated. J Chem Inf Model. 2016 Sep 26;56(9):1725-33.
Qin T, Chen F, Zhuo X, Guo X, Yun T, Liu Y, Zhang C, Lai L. Discovery of Novel Polo-Like Kinase 1 Polo-Box Domain Inhibitors to Induce Mitotic Arrest in Tumor Cells. J Med Chem. 2016 Aug 11;59(15):7089-96.
Yu C, Niu X, Jin F, Liu Z, Jin C, Lai L. Structure-based Inhibitor Design for the Intrinsically Disordered Protein c-Myc. Sci Rep. 2016 Mar 2;6:22298.
Bi S, Lai L. Bacterial chemoreceptors and chemoeffectors. Cell Mol Life Sci. 2015 Feb;72(4):691-708.
Wu Y, Zhuo X, Dai Z, Guo X, Wang Y, Zhang C, Lai L. Modeling the mitotic regulatory network identifies highly efficient anti-cancer drug combinations. Mol Biosyst. 2015 Feb;11(2):497-505.
Yu D, Ma X, Tu Y, Lai L. Both piston-like and rotational motions are present in bacterial chemoreceptor signaling. Sci Rep. 2015 Mar 2;5:8640.
Meng H, Liu Y, Lai L. Diverse Ways of Perturbing the Human Arachidonic Acid Metabolic Network To Control Inflammation. Acc Chem Res. 2015 Aug 18;48(8):2242-50.
Yang X, Sun Q, Yuan P, Liang H, Wu X, Lai L, Zhang Y. Novel mutations and polymorphisms in the CFTR gene associated with three subtypes of congenital absence of vas deferens. Fertil Steril. 2015 Aug 12. pii: S0015-0282(15)01654-4.
Yang W, Luo C, Lai L, Ouyang Q. A novel microfluidic platform for studying mammalian cell chemotaxis in different oxygen environments under zero-flow conditions. Biomicrofluidics. 2015 Aug 24;9(4):044121.
Xu Y, Dai Z, Chen F, Gao S, Pei J, Lai L. Deep Learning for Drug-Induced Liver Injury. J Chem Inf Model. 2015 Oct 6.
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