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  • Title: Static energy analysis of MHC class I and class II peptide-binding affinity.
    Author: Davies MN, Flower DR.
    Journal: Methods Mol Biol; 2007; 409():309-20. PubMed ID: 18450011.
    Abstract:
    Antigenic peptide is presented to a T-cell receptor (TCR) through the formation of a stable complex with a major histocompatibility complex (MHC) molecule. Various predictive algorithms have been developed to estimate a peptide's capacity to form a stable complex with a given MHC class II allele, a technique integral to the strategy of vaccine design. These have previously incorporated such computational techniques as quantitative matrices and neural networks. A novel predictive technique is described, which uses molecular modeling of predetermined crystal structures to estimate the stability of an MHC class II-peptide complex. The structures are remodeled, energy minimized, and annealed before the energetic interaction is calculated.
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