From the publicly available MD database for GPCRs, GPCRmd, a subset of 26 trajectories for class A GPCRs with sufficient bioactivity data for PCM modelling was selected, as described in the Materials and methods section. Apo inactive conformations were selected to avoid bias towards a specific ligand-triggering activation mode. The targets selected covered 17 subfamilies within four class A families: aminergic, lipid, nucleotide, and peptide receptors.