. Author manuscript; available in PMC: 2010 Jul 27.

Published in final edited form as: J Chem Inf Model. 2009 Jul;49(7):1787–1796. doi: 10.1021/ci9000663

Table 5.

Summary of average RMSD and the R² between docking scores and reported binding affinities for the 4 docking programs.

Program	Scoring function	R²	Average RMSD^a
FlexX	Total score	0.116	–
	DScore	0.276	–
	PMF Score	0.039	–
	GScore	0.134	–
	CScore	0.008	4.97
Glide-SP	GScore	0.466	–
	EModel	0.450	3.40
	Ruvinsky-GScore	0.167	–
	Ruvinsky-EModel	0.196	–
Molegro virtual docker	MolDock	0.741	2.14
	Rerank	0.740	–
	Protein-ligand	0.740	–
GOLD	GoldScore	0.911	2.99
	ChemScore	0.855	3.88
	ASP	0.626	1.96

In Å.