Table 2.

Statistical Summary of RMSDs on 35 Binders with Crystal Structures Docked by Different Programs

		rmsd statistics (Å)				no. of ligands that have rmsd < 1 Å among top 10 poses
		TP-rmsd		BP-rmsd
		mean	SDa	mean	SDa	TP-rmsd	BP-rmsd
FRED	no HOH308, Chemgauss3	1.65	0.95	0.85	0.51	14	28
	no HOH308, Zapbind	1.61	0.94	0.82	0.56	10	25
	with HOH308, Chemgauss3	1.93	1.09	0.92	0.57	12	25
	with HOH308, Zapbind	1.82	1.09	0.91	0.60	10	23
QXP/FLO	no HOH308	1.27	1.10	0.52	0.28	21	34
	with HOH308	1.58	1.12	0.69	0.49	16	29
GLIDE	no HOH308, SP scoring	2.04	1.08	0.71	0.42	8	29
	no HOH308, XP scoring	1.99	1.74	0.95	0.73	11	26
	with HOH308, SP scoring	2.44	0.89	0.70	0.41	4	29
	with HOH308, XP scoring	1.79	1.06	1.01	0.79	14	26

^aSD = standard deviation.