PDOCK: a new technique for rapid and accurate docking of peptide ligands to Major Histocompatibility Complexes.

ABSTRACT:

Background

Identification of antigenic peptide epitopes is an essential prerequisite in T cell-based molecular vaccine design. Computational (sequence-based and structure-based) methods are inexpensive and efficient compared to experimental approaches in screening numerous peptides against their cognate MHC alleles. In structure-based protocols, suited to alleles with limited epitope data, the first step is to identify high-binding peptides using docking techniques, which need improvement in speed and efficiency to be useful in large-scale screening studies. We present pDOCK: a new computational technique for rapid and accurate docking of flexible peptides to MHC receptors and primarily apply it on a non-redundant dataset of 186 pMHC (MHC-I and MHC-II) complexes with X-ray crystal

SUBMITTER: Khan JM 

PROVIDER: S-EPMC2946780 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature