Table 2 Ratio of time spent for each process in the total docking time (Average of 176 dockings of protein-protein docking benchmark 4.0[12], calculated with single thread setting)
| Calculation | Ratio of time spent for the process [%] (mean±sd) |
|---|---|
| Receptor voxelization and FFT | 1.19±0.62 |
| Ligand rotation and voxelization | 6.41±3.13 |
| Ligand FFT | 40.38±2.79 |
| Inverse FFT | 45.99±2.25 |
| Sort docking results | 6.02±1.46 |