TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex
Molecular glue degraders have emerged as a promising strategy for targeted protein degradation by inducing ternary complex formation between an E3 ubiquitin ligase and a target protein. Despite their therapeutic potential, computational design of molecular glues remains largely unexplored. Unlike conventional structure-based drug design, molecular glue design is governed by the unknown protein-protein interface and requires the simultaneous modeling of ligand generation, protein-protein docking, and ternary complex assembly. In this work, we formulate molecular glue design as a ternary complex generation problem and propose a biology-inspired generative framework, TriGlue. Motivated by th...
| Authors | Yuliang Yan, Shuo Yan, Haochun Tang et al. |
|---|---|
| Primary category | cs.LG |
| Published | 24 July 2026 |
| Last updated at source | 4 August 2026 |
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