TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex

Researchers introduced TriGlue, a generative model for molecular glue design that treats the task as ternary complex generation.

The system first estimates the protein-protein interface, then generates the glue molecule and assembles the full complex.

TriGlue is SE(3)-equivariant and uses interface-conditioned flow matching to produce chemically valid compounds.

Experiments suggest it can generate plausible ternary complexes, advancing computational tools for targeted protein degradation.