General Prediction of Peptide-MHC Binding Modes Using Incremental Docking: A Proof of Concept.

ABSTRACT: The class I major histocompatibility complex (MHC) is capable of binding peptides derived from intracellular proteins and displaying them at the cell surface. The recognition of these peptide-MHC (pMHC) complexes by T-cells is the cornerstone of cellular immunity, enabling the elimination of infected or tumoral cells. T-cell-based immunotherapies against cancer, which leverage this mechanism, can greatly benefit from structural analyses of pMHC complexes. Several attempts have been made to use molecular docking for such analyses, but pMHC structure remains too challenging for even state-of-the-art docking tools. To overcome these limitations, we describe the use of an incremental meta-docking approach for structural prediction of pMHC complexes. Previous methods applied in this context use

SUBMITTER: Antunes DA 

PROVIDER: S-EPMC5847594 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature