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. 2021 Feb 1;17(2):e1008309. doi: 10.1371/journal.pcbi.1008309

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.

Docking was performed using rDock with the dock desolvation potential with the native conformation of a ligand as an input.

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%