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Citation: SONG Zhe, LIU Tao, LIU Wei, ZHU Ming-Hua, WANG Xiao-Gang. The QSAR Model Study of Interaction Between Peptides and　MHC molecules[J]. Acta Physico-Chimica Sinica, ;2007, 23(02): 198-205. doi: 10.1016/S1872-1508(07)60016-3 shu

The QSAR Model Study of Interaction Between Peptides and　MHC molecules

1.
Department of Physics, College of Advanced Science and Technology, Dalian University of Technology, Dalian 116023, Liaoning Province, P. R. China

Received Date: 12 July 2006
Available Online: 30 January 2007

The binding affinity model of a peptide-major histocompatibility complex (MHC) was studied using the methods of partial least squares (PLS) and amino acid structure descriptors. Using these models, the predictive sets of 805 peptides are predicted for the binding affinity of the HLA-A*0201 complex, and the predictive accuracies of the two models are 66.8% and 65.5%, respectively. To test the robustness of the models, the outliers are eliminated, and it is proved that the robustness of the models is od. This shows that the models using the PLS and amino acid structure descriptors are feasible on predicting of CTL (cytotoxicy T lymphocyte) epitopes.
- CTL epitopes,
- Amino acid structure descriptors,
- QSAR,
- Partial least squares method
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沈阳化工大学材料科学与工程学院沈阳 110142

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通讯作者: 陈斌, bchen63@163.com

The QSAR Model Study of Interaction Between Peptides and　MHC molecules