Calculation of Protein/Peptide Binding Affinities

(in collaboration with the Mayo group/Biology Division)

We are interested in predicting the binding strength of protein/peptide interactions. We have studied a number of MHC Class I protein/ peptide complexes and compare our calculations with published experimental binding affinities. The effects of solvent and relaxation processes are included in our computational methods. These results have been used to design and test novel peptides with enhanced binding properties.