摘要
分别采用氨基酸序列及氨基酸结构描述符方法定量研究了短肽-MHC(majorhistocompatibilitycomplex)分子结合亲合力的定量构效关系(QSAR)模型,用这两个模型对短肽与HLA-A*0201分子结合的805个预测样本进行了预测,预测准确度分别达到66.8%和65.5%.采用了去除“劣点”方法检验模型的鲁棒性,结果证明两个模型都具有良好的鲁棒性.通过改变两个模型的参数,对氨基酸残基个数为8或10的CTL(cytotoxicyTlymphocyte)表位进行预测.
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.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
2007年第2期198-205,共8页
Acta Physico-Chimica Sinica
