关键词: ACHBP Ach Agonism Arylmethylene quinuclidine-like derivatives Binding CNS EF Homology modeling MEC NIC Nicotinic acetylcholine receptor Pdb QM QM-polarized docking QPLD ROC SP XP acetylcholine acetylcholine-binding protein central nervous system enrichment factor extra precision minimum-effective concentration nAChR nicotine nicotinic acetylcholine receptor protein databank quantum mechanics polarized ligand docking quantum-mechanics receiver operating characteristic curve rmsd root-mean-squared-deviation standard precision
Mesh : Humans Ligands Molecular Docking Simulation Nicotinic Agonists / chemistry pharmacology Protein Binding Quinuclidines / chemistry pharmacology Receptors, Nicotinic / metabolism
来 源: DOI:10.1016/j.bmcl.2013.06.094