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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2007,Vol.23>> Issue(02)>> 198-205     doi: 10.1016/S1872-1508(07)60016-3         中文摘要
The QSAR Model Study of Interaction Between Peptides and MHC molecules
SONG Zhe;LIU Tao;LIU Wei;ZHU Ming-Hua;WANG Xiao-Gang
Department of Physics, College of Advanced Science and Technology, Dalian University of Technology, Dalian 116023, Liaoning Province, P. R. China
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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 good. This shows that the models using the PLS and amino acid structure descriptors are feasible on predicting of CTL (cytotoxicy T lymphocyte) epitopes.

Keywords: CTL epitopes   Amino acid structure descriptors   QSAR   Partial least squares method  
Received: 2006-07-12 Accepted: 2006-09-14 Publication Date (Web): 2007-01-30
Corresponding Authors: LIU Wei; WANG Xiao-Gang Email: jchjys@dlut.edu.cn


Cite this article: 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 Phys. -Chim. Sin., 2007,23 (02): 198-205.    doi: 10.1016/S1872-1508(07)60016-3
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