CAJ | 학술논문

在以短肽定义的或以抗原定义的疫苗设计中，识别哪个来自病原体的蛋白质片段会结合M HC Ⅱ分子是个重要问题．多数M HC Ⅱ表位预测的研究很少给出结合特异性的定量分析，所以这些模型的精确度仍然需要进一步提高．AUC Optimized Gibbs （AOG ）使用约化同源性的AUC值而不是相对熵来引导采样，使得正样本和负样本的信息都被用于模型的训练．在10个 HLA-DR4（B1*0401）原测试集和约化同源性测试集的测试中，AOG得到的平均AUC值分别是0．771和0．713，优于Gibbs的0．744和0．673．在定量IEDB的M HC Ⅱ测试集中，AOG得到的平均AUC值是0．766，而TEPITOPE得到的平均AUC值是0．718．从HLA-DR4（B1*0401）数据提取的信息可以识别某些有明显特异性的位置，即P1、P4、P6和P9位置，其对M H C-短肽结合有明显的影响．
재이단태정의적혹이항원정의적역묘설계중，식별나개래자병원체적단백질편단회결합M HC Ⅱ분자시개중요문제．다수M HC Ⅱ표위예측적연구흔소급출결합특이성적정량분석，소이저사모형적정학도잉연수요진일보제고．AUC Optimized Gibbs （AOG ）사용약화동원성적AUC치이불시상대적래인도채양，사득정양본화부양본적신식도피용우모형적훈련．재10개 HLA-DR4（B1*0401）원측시집화약화동원성측시집적측시중，AOG득도적평균AUC치분별시0．771화0．713，우우Gibbs적0．744화0．673．재정량IEDB적M HC Ⅱ측시집중，AOG득도적평균AUC치시0．766，이TEPITOPE득도적평균AUC치시0．718．종HLA-DR4（B1*0401）수거제취적신식가이식별모사유명현특이성적위치，즉P1、P4、P6화P9위치，기대M H C-단태결합유명현적영향．
In the design of peptide-based or other defined antigen-based vaccines ,it is important to know w hich fragments of pathogen-derived proteins would bind to the M HC Ⅱ molecules .Most studies of the M HC Ⅱ epitope prediction rarely gave the quantitative analyses of binding specificities .So the accuracy of these models still needs to be improved .AUC Optimized Gibbs (AOG) method uses the homology reduced AUC , rather than the relative entropy to guide the sampler . It makes both the positive and negative information of the samples be incorporated into the model . AOG achieves average AUC values of 0 .771 and 0 .713 on the ten original and homology reduced HLA-DR4 (B1 * 0401) epitope benchmarks ,which are better than 0 .744 and 0 .673 by the Gibbs sampling method . In the quantitative IEDB M HC-Ⅱ benchmarks , AOG achieves an average AUC value of 0 .766 , compared to 0 .718 by the TEPITOPE .A detailed inspection of information extracted from HLA-DR4 (B1 * 0401 ) data allows the identification of positions with obvious specificities ,i .e .,P1 ,P4 ,P6 and P9 positions ,which have distinct influence on the M HC-peptide binding .