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Scheme of the OB-MM/CG setup for hGPCR–ligand complexes. Protein residues belonging to the MM, I, and CG regions are represented in blue, orange, and black, respectively. The ligand is represented in red in the binding site and is modeled at the MM level. The two atomistic MMw hemispheres are coupled to the coarse-grained reservoir CGw through the hybrid region HY.
