TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex
TriGlue frames molecular glue design as a single ternary-complex generation problem.
The paper says molecular glue design is hard because the protein-protein interface is unknown and must be modeled alongside ligand generation and docking. TriGlue splits the task into interface estimation from unbound monomer structures, then interface-conditioned generation of the glue molecule and rigid-body assembly. The authors report chemically valid molecules and plausible ternary complexes in experiments. HF Daily Papers' note
The paper says molecular glue design is hard because the protein-protein interface is unknown and must be modeled alongside ligand generation and docking. TriGlue splits the task into interface estimation from unbound monomer structures, then interface-conditioned generation of the glue molecule and rigid-body assembly. The authors report chemically valid molecules and plausible ternary complexes in experiments. HF Daily Papers' note
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