Toward activated homology models of the human M1 muscarinic acetylcholine receptor
A homology model of the human M1 mAChR was generated. Modification and refinement by IFD gave two activated structures. IFD-refined structures efficiently differentiated agonists from decoys. The activated structures also gave good agonist/antagonist selectivity. Structural differences suggest changes that occur upon ligand binding.
homology modeling activated structure g protein-coupled receptor docking virtual screening