AI RESEARCH
Hierarchical Contrastive Learning for Multi-Domain Protein-Ligand Binding
arXiv CS.LG
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ArXi:2605.19902v1 Announce Type: new Predicting protein-ligand binding affinity remains intractable for multi-domain proteins, where inter-domain dynamics govern molecular recognition. Existing geometric deep learning methods typically treat proteins as monolithic static graphs, suffering from rigid-body assumptions and aleatoric noise in flexible regions. To address this, we