Table 2. Ensemble docking results of the reference ligands for the four AChE conformations and BuChE.

Reference ligand	Conformation a	Glide score b	RMSD c
1ZGC	1Q84 (AChE)	–12.989 (–12.328 d )	1.211 (1.451 d )
1Q84	1Q84 (AChE)	–14.797	1.271
2CKM	2CKM (AChE)	–12.026	1.077
4EY7	4EY7 (AChE)	–12.242	0.986
5K5E	5K5E (BuChE)	–8.765	1.262

^aConformation with the lowest glide score in the ensemble docking.

^bGiven in kcal mol^–1.

^cGiven in Å.

^dGlide score and RMSD against the native conformation.