R. Friesner

On the generalization and usability of cofolding models for GPCR drug discovery

Boltz is benchmarked using a curated set of ligand-bound human G protein-coupled receptors from families unseen during training, showing that while Boltz generally predicts receptor backbones accurately, ligand poses can contain significant errors that lead to a limited ability to reproduce experimental affinity data when tested with FEP+.