Supplementary Data for "Generalization and Usability of Co-Folded GPCR–Ligand Complexes: A Physics-Guided Assessment"

Supplementary data for the paper titled “Generalization and Usability of Co-Folded GPCR–Ligand Complexes: A Physics-Guided Assessment.” This package includes: All GPCR structures used in the retrospective benchmark dataset, including: Experimental structures Top five predictions from Boltz-1x, Boltz-1x with G protein, and Boltz-2 Glide and IFD-MD refinements for each Boltz-1x prediction All ligand series information and ligand structures used in the paper Output FEP+ maps