Table 3 Re-docking score of co-crystallized ligand butyrylthiocholine (BCh) inside the binding pocket of BChE (PDB ID 1P0P)
Serial number | Conformations | Binding free energy (Kcal/mol) | RMSD (Çş) |
|---|---|---|---|
1 | BCh | -13.11 | 1.96 |
2 | BCh | -11.32 | 1.51 |
3 | BCh | -13.91 | 0.65 |
Serial number | Conformations | Binding free energy (Kcal/mol) | RMSD (Çş) |
|---|---|---|---|
1 | BCh | -13.11 | 1.96 |
2 | BCh | -11.32 | 1.51 |
3 | BCh | -13.91 | 0.65 |