Table 2.
Docking scoring success rates for different scoring functions.a
Scoring function | Success rate (%) using different rmsd criteriab | ||
---|---|---|---|
≦1 Å | ≦2 Å | ≦3 Å | |
DrugScoreCSD | 83 | 87 | *c |
MotifScore | 71 | 84 | 86 |
Cerius2/PLP | 63 | 76 | 80 |
SYBYL/F-Score | 56 | 74 | 77 |
Cerius2/LigScore | 64 | 74 | 76 |
DrugScorePDB | 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]