Total metabolic pathways evaluated by docking methodology and prediction success using top three sites for the homology model, the crystal structure, and the crystal structure with water models corresponding to best docking and all docking solutions
Reactions Evaluated | Prediction Using Best Docking | Prediction Using All Dockings | |
|---|---|---|---|
| % | % | ||
| Homology model | 323 | 26 | 57 |
| Crystal structure | 298 | 27 | 47 |
| Crystal with water | 205 | 19 | 27 |