Identification of the cognate peptide-MHC target of T cell receptors using molecular modeling and force field scoring.

ABSTRACT: Interactions of T cell receptors (TCR) to peptides in complex with MHC (p:MHC) are key features that mediate cellular immune responses. While MHC binding is required for a peptide to be presented to T cells, not all MHC binders are immunogenic. The interaction of a TCR to the p:MHC complex holds a key, but currently poorly comprehended, component for our understanding of this variation in the immunogenicity of MHC binding peptides. Here, we demonstrate that identification of the cognate target of a TCR from a set of p:MHC complexes to a high degree is achievable using simple force-field energy terms. Building a benchmark of TCR:p:MHC complexes where epitopes and non-epitopes are modelled using state-of-the-art molecular modelling tools, scoring p:MHC to a given TCR using force-fields, opti

SUBMITTER: Lanzarotti E 

PROVIDER: S-EPMC5800965 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature