科研成果

2013
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 [Internet]. 2013;(11):2696-2700. 访问链接
Gu S, Yin N, Pei J, Lai L. Understanding traditional Chinese medicine anti-inflammatory herbal formulae by simulating their regulatory functions in the human arachidonic acid metabolic network. Molecular BioSystems [Internet]. 2013;(7):1931-1938. 访问链接
Yuan Y, Pei J, Lai L. Binding site detection and druggability prediction of protein targets for structure-based drug design. Current Pharmaceutical Design [Internet]. 2013;(12):2326-2333. 访问链接
Yin N, Pei J, Lai L. A comprehensive analysis of the influence of drug binding kinetics on drug action at molecular and systems levels. Molecular BioSystems [Internet]. 2013;(6):1381-1389. 访问链接
Bai Y, Xue H, Wang K, Cai L, Qiu J, Bi S, Lai L, Cheng M, Liu S, Liu K. Covalent fusion inhibitors targeting HIV-1 gp41 deep pocket. Amino Acids [Internet]. 2013;(2):701-713. 访问链接
He S, Li C, Liu Y, Lai L. Discovery of highly potent microsomal prostaglandin E2 synthase 1 inhibitors using the active conformation structural model and virtual screen. Journal of Medicinal Chemistry [Internet]. 2013;(8):3296-3309. 访问链接
Meng H, Liu Y, Zhai Y, Lai L. Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase. European Journal of Medicinal Chemistry [Internet]. 2013:160-167. 访问链接
2012
Qi Y, Wang Q, Tang B, Lai L. Identifying allosteric binding sites in proteins with a two-state gô model for novel allosteric effector discovery. Journal of Chemical Theory and Computation. 2012;(8):2962-2971.
Zhou L, Jin F, Liu Y, Shang E-C, Wei P, Li C-M, Lai L-H. Isatin dual functional inhibitors: Modulating the aggregation state and enzyme activity of SARS-3CL proteinase. Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica. 2012;(10):2418-2422.
Zhang C-S, Lai L-H. Protein-protein interaction: Prediction, design, and modulation. Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica. 2012;(10):2363-2380.
Ouyang Q, Lai L, Tang C. Designing the scientific cradle for quantitative biologists. ACS Synthetic Biology [Internet]. 2012;(7):254-255. 访问链接
He C, Wu Y, Lai Y, Cai Z, Liu Y, Lai L. Dynamic eicosanoid responses upon different inhibitor and combination treatments on the arachidonic acid metabolic network. Molecular BioSystems [Internet]. 2012;(5):1585-1594. 访问链接
Wu Y, He C, Gao Y, He S, Liu Y, Lai L. Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. Journal of Medicinal Chemistry [Internet]. 2012;(6):2597-2605. 访问链接
Li H, Wu J, Ying G, Chen L, Lai L, Liu Z, Zhang N, Guo H. J-4: A novel and typical preclinical anticancer drug targeting protein kinase C ζ. Anti-Cancer Drugs [Internet]. 2012;(7):691-697. 访问链接
Qi Y, Liang H, Han X, Lai L. Sequence preference of α-helix N-terminal tetrapeptide. Protein and Peptide Letters [Internet]. 2012;(3):345-352. 访问链接
Zhang C, Lai L. Automatch: Target-binding protein design and enzyme design by automatic pinpointing potential active sites in available protein scaffolds. Proteins: Structure, Function and Bioinformatics [Internet]. 2012;(4):1078-1094. 访问链接
Qian M, Huang Q, Wu G, Lai L, Tang Y, Pei J, Kusunoki M. Crystal structure analysis of a recombinant predicted acetamidase/ formamidase from the thermophile thermoanaerobacter tengcongensis. Protein Journal [Internet]. 2012;(2):166-174. 访问链接
2011
Liu Z, Li B, Li X, Zhang L, Lai L. Erratum: Identification of small-molecule inhibitors against human leukocyte antigen-death receptor 4 (HLA-DR4) through a comprehensive strategy (Journal of Chemical Information and Modeling (2011) 51 (326-334) DOI: 10.1021/ci100444c). Journal of Chemical Information and Modeling. 2011;(7):1737-.
Tang Y, Xu R, Guo G, Yu J, Wang Y, Lai L, Wu K. Molecular engineering. Chemistry Bulletin / Huaxue Tongbao. 2011;(11):970-982.
Zou X, Liu Y, Liu Z, Gao J, Song Q, Pan Y, Zhang J, Li X, Lai L. Synthesis and anti-tumor activity of novel 2-amino-1,3,4- thiadiazolederivativers. Chinese Journal of Organic Chemistry. 2011;(11):1923-1929.

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