Three-Dimensional Structural Modelling and Calculation of Electrostatic Potentials of HLA Bw4 and Bw6 Epitopes to Explain the Molecular Basis for Alloantibody Binding

Abstract

We describe a novel approach for quantitating differences in HLA B-cell epitope electrostatic potential. Proof of principle is provided that this approach enables better assessment of HLA epitope antigenicity than amino acid sequence data alone, and it may allow prediction of HLA immunogenicity.