Table 1.
Re-docking RMSD (Å) |
||||||||
---|---|---|---|---|---|---|---|---|
No. | PDB_ID | Resolution (Å) | PDB_Ligand | GOLD | CDOCKER | AlphaPMI | AutoDock | Glide |
1 | 2D0T | 2.3 | 0.70 | 1.11 | 0.92 | 0.82 | 0.65 | |
2 | 2D0U | 3.4 | -CN | – | – | – | – | – |
3 | 4PK5 | 2.79 | 0.32 | 0.43 | 0.57 | 0.72 | 1.01 | |
4 | 4PK6 | 3.45 | – | – | – | – | – | |
5 | 5EK2 | 2.68 | 0.48 | 1.08 | 1.03 | 0.64 | 0.44 | |
6 | 5EK3 | 2.21 | 0.39 | 0.81 | 0.62 | 0.43 | 0.38 | |
7 | 5EK4 | 2.64 | 0.48 | 0.78 | 0.35 | 0.42 | 0.56 | |
8 | 5ETW | 2.7 | 0.32 | 0.39 | 0.61 | 0.40 | 0.39 |