An adaptive approach to predicting antibody-antigen complex structures from sequence

Abstract

Antibodies are a highly diverse class of immune receptors whose binding residues (paratopes) are selected to specifically recognize a given antigen at a given surface patch (epitope). Antibody structures can be predicted from sequences and the binding modes of antibody-antigen complexes can be sampled by existing protein docking methods. However, the scoring of antibody-antigen docked poses starting from unbound homology models has not been systematically optimized for a large and diverse set of input sequences.