Table 1. Percentages of the experimentally determined poses determined as the top scoring pose, in the top three, five, 25%, and 50% of scoring poses, among poses resulting from molecular docking.
percentage of complexes, for which the reference ligand is scored: | |||||
---|---|---|---|---|---|
as the top scoring pose | in top three scoring poses | in top five scoring poses | in the first quartile | in the second quartile | |
rDock (dock) | 0.0% | 0.0% | 0.0% | 3.4% | 3.4% |
rDock (dock_solv) | 13.8% | 13.8% | 17.2% | 17.2% | 20.7% |
LigandRNA (2013) | 0.0% | 3.4% | 6.9% | 44.8% | 58.6% |
LigandRNA (updated) | 0.0% | 0.0% | 3.4% | 44.8% | 58.6% |
AnnapuRNA DL (2013) | 34.5% | 44.8% | 48.3% | 72.4% | 79.3% |
AnnapuRNA DL (2016) | 37.9% | 41.4% | 48.3% | 69.0% | 79.3% |
AnnapuRNA kNN (2013) | 34.5% | 41.4% | 48.3% | 72.4% | 75.9% |
AnnapuRNA kNN (2016) | 31.0% | 44.8% | 48.3% | 72.4% | 82.8% |