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• W2083469366 abstract "A set of 38 epitopes and 183 non-epitopes, which bind to alleles of the HLA-A3 supertype, was subjected to a combination of comparative molecular similarity indices analysis (CoMSIA) and soft independent modeling of class analogy (SIMCA). During the process of T cell recognition, T cell receptors (TCR) interact with the central section of the bound nonamer peptide; thus only positions 4−8 were considered in the study. The derived model distinguished 82% of the epitopes and 73% of the non-epitopes after cross-validation in five groups. The overall preference from the model is for polar amino acids with high electron density and the ability to form hydrogen bonds. These so-called “aggressive” amino acids are flanked by small-sized residues, which enable such residues to protrude from the binding cleft and take an active role in TCR-mediated T cell recognition. Combinations of “aggressive” and “passive” amino acids in the middle part of epitopes constitute a putative TCR binding motif." @default.
• W2083469366 created "2016-06-24" @default.
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• W2083469366 date "2006-03-09" @default.
• W2083469366 modified "2023-09-23" @default.
• W2083469366 title "Modeling the Peptide−T Cell Receptor Interaction by the Comparative Molecular Similarity Indices Analysis−Soft Independent Modeling of Class Analogy Technique" @default.
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• W2083469366 doi "https://doi.org/10.1021/jm050876m" @default.
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