2026
PLA-MGRA: Multi-Granularity and Relation-Aware Learning for Efficient and Generalizable Protein-Ligand Binding Affinity Prediction
AAAI 2026technical
Protein-Ligand Affinity (PLA) prediction quantifies the interaction strength to guide rational drug design. Existing approaches typically analyze interaction at a single granularity and overlook tightly coupled relationships between protein and ligand in both structure and functionality, consequentl