MG-PDB & MGBench: Benchmarking co-folding methods for molecular glue ternary structure prediction

Molecular glues (MGs) are a novel therapeutic modality that create or stabilize protein-protein interactions. To benchmark computational prediction of these systems, we present MG-PDB & MGBench, comprehensive datasets of MG ternary complex structures. This work evaluates several state-of-the-art co-folding methods: AlphaFold 3, Boltz-1, Chai-1, Protenix, and RoseTTAFold All-Atom.