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a The process of constructing a protein graph from the protein 3D structure. Instead of using peptide bonds as edges, we connect two residues with the cutoff distance < 8 angstroms (Å), where edges and node features are extracted using ESM-2 pretrained model. b An example of the protein graph construction from the protein 3D structure. c The few-shot DTI prediction process and zero-shot DTI prediction process.
