EpiDOCK: a molecular docking-based tool for MHC class II binding prediction

Protein Eng Des Sel. 2013 Oct;26(10):631-4. doi: 10.1093/protein/gzt018. Epub 2013 May 9.

Abstract

Cellular peptide vaccines contain T-cell epitopes. The main prerequisite for a peptide to act as a T-cell epitope is that it binds to a major histocompatibility complex (MHC) protein. Peptide MHC binder identification is an extremely costly experimental challenge since human MHCs, named human leukocyte antigen, are highly polymorphic and polygenic. Here we present EpiDOCK, the first structure-based server for MHC class II binding prediction. EpiDOCK predicts binding to the 23 most frequent human, MHC class II proteins. It identifies 90% of true binders and 76% of true non-binders, with an overall accuracy of 83%. EpiDOCK is freely accessible at http://epidock.ddg-pharmfac.net.

Keywords: MHC class II binding prediction; docking; peptide vaccines; quantitative matrices.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alleles
  • Computational Biology / methods*
  • Histocompatibility Antigens Class II / chemistry*
  • Histocompatibility Antigens Class II / genetics
  • Histocompatibility Antigens Class II / immunology*
  • Humans
  • Internet
  • Molecular Docking Simulation / methods*
  • Protein Conformation
  • Reproducibility of Results
  • Vaccines / immunology

Substances

  • Histocompatibility Antigens Class II
  • Vaccines