| 摘要 |
<p>The invention provides a method for the prediction of the binding affinity of a peptide to a major histocompatilibity (MHC) class II molecules comprising; 1) ascertaining the characteristics of a MHC molecule binding groove, 2) presenting a selected peptide to the MHC molecule and ascertaining a first conformation score for each pocket bound peptide side-chain, 3) amending the conformation of each pocket bound peptide side-chain and ascertaining a second conformation score, 4) repeating step 3 with alternative conformations of each peptide pocket bound side-chain, 5) choosing the highest conformation score for each pocket bound peptide side-chain in each binding groove pockets, herein known as 'the pocket', and 6) combining the highest conformation score for each pocket and ascertaining a binding score for the complete peptide.</p> |
