Junbiao Lu

Phys-AbGAT: A Physics-Informed Multi-Task Graph Attention Network for Robust Antibody-Antigen Binding Affinity Prediction

Abstract Motivation Accurate prediction of antibody-antigen binding affinity is essential for therapeutic antibody design. Existing methods often model the dissociation constant (KD) and Gibbs free energy (ΔG) independently, overlooking their thermodynamic relationship and comple...