Table 3. Results of re-docking processes with co-crystallized ligands

Ligand RMSD (Å)
1 0.4912
2 0.5184
3 0.5021
- Ligand 1: separated from the complex (native form, not prepared).
- Ligand 2: separated from the complex and re-prepared using mentioned appropriate procedure.
- Ligand 3: built and prepared from the beginning.