Modeling the peptide-T cell receptor interaction by the comparative molecular similarity indices analysis-soft independent modeling of class analogy technique.

@article{Doytchinova2006ModelingTP,
  title={Modeling the peptide-T cell receptor interaction by the comparative molecular similarity indices analysis-soft independent modeling of class analogy technique.},
  author={Irini A. Doytchinova and Darren R. Flower},
  journal={Journal of medicinal chemistry},
  year={2006},
  volume={49 7},
  pages={2193-9}
}
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… CONTINUE READING