TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex
Ranking
Overall
88
Content
95
Popularity
71
Observed public metrics from 1 member.
Merged summary
TL;DR - TriGlue is a generative framework for designing molecular glues and their induced E3 ligase–target protein ternary complexes. It could accelerate targeted protein-degradation drug discovery by jointly addressing ligand generation, protein docking, and complex assembly.
- Decomposes generation into protein-interface estimation and interface-conditioned ternary-complex generation.
- Uses an SE(3)-equivariant module to predict constrained interfaces from unbound protein structures.
- Applies flow matching to jointly generate a molecular glue and the rigid-body transformation needed for assembly.
- Experiments report chemically valid molecules and plausible ternary complexes.
Sources (1)
TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex
Public signals
Hugging Face upvotes 6 · Semantic Scholar citations 0 · Semantic Scholar influential citations 0
TL;DR - TriGlue is a generative framework for designing molecular glues and their induced E3 ligase–target protein ternary complexes. It could accelerate targeted protein-degradation drug discovery by jointly addressing ligand generation, protein docking, and complex assembly.
- Decomposes generation into protein-interface estimation and interface-conditioned ternary-complex generation.
- Uses an SE(3)-equivariant module to predict constrained interfaces from unbound protein structures.
- Applies flow matching to jointly generate a molecular glue and the rigid-body transformation needed for assembly.
- Experiments report chemically valid molecules and plausible ternary complexes.