In the design of molecular vaccines for the treatment of diseases,
identification of T-cell epitopes from immunologically relevant antigens
is an important prerequisite. The first step in T-cell mediated immune
response is the binding of antigenic peptides to MHC receptors, followed
by binding of the T-cell receptors. Unfortunately, experimental
identification of T-cell epitopes is both time-consuming and expensive
due to the diversity of MHC alleles and large number of candidate
peptides.
Sequence-based methods are fast but heavily rely on the availability of
large training sets. Other docking techniques assume small ligand with
minor flexibility and therefore, can not predict the docking of peptide
to MHC that has very high degrees of freedom. Involvement of water
molecules for binding further complicates the problem.
In this talk, I will cover the biological background for MHC and
peptide docking, the problems in MHC docking predictions, and some current
approaches.