The PickPocket method for predicting binding specificities for receptors based on receptor pocket similarities: application to MHC-peptide binding

Abstract excerpt

MOTIVATION: Receptor-ligand interactions play an important role in controlling many biological systems. One prominent example is the binding of peptides to the major histocompatibility complex (MHC) molecules controlling the onset of cellular immune responses. Thousands of MHC allelic versions exist, making determination of the binding specificity for each variant experimentally infeasible. Here, we present a...