An interaction-motif-based scoring function for protein-ligand docking

BMC Bioinformatics

Table 2 Docking scoring success rates for different scoring functions.^a

Scoring function	Success rate (%) using different rmsd criteria^b
	≦1 Å	≦2 Å	≦3 Å
DrugScore^CSD	83	87	*^c
*MotifScore*	71	84	86
Cerius2/PLP	63	76	80
SYBYL/F-Score	56	74	77
Cerius2/LigScore	64	74	76
DrugScore^PDB	63	72	74
Cerius2/LUDI	43	67	67
X-Score	37	66	74
AutoDock	34	62	72
Cerius2/PMF	40	52	57
SYBYL/G-Score	24	42	56
SYBYL/ChemScore	12	35	40
SYBYL/D-Score	8	26	41

^a The data were taken from Wang et al. [9] and Velec et al. [20], except for the MotifScore results, which were computed in this work using the same dataset.
^bScoring functions are ranked by their success rates at rmsd ≦ 2.0 Å (the success rate of a scoring function is calculated by checking if the rmsd value of the highest-scored conformation is less than, or equal to, the specified rmsd criterion from the experimentally observed conformation.)
^cNot provided by Velec et al. [20]

ISSN: 1471-2105