Table 2.

Accuracies of binding pose predictions: docking success rates ¹ for FXa ligands.

Data Set	AutoDock4	AutoDock-GIST (Pose Parameter Set)	AutoDock-GIST (Affinity Parameter Set)
Training set	75.0%	89.3%	71.4%
Test set	82.6%	95.7%	90.4%
All data	78.4%	92.1%	80.4%

¹ RMSD between the native structure and the docking pose of ligand being less than 2 Å was regarded as a success of binding pose prediction.