Table 2.
Molecular docking energies of ZnO nanoparticle interaction with sod1 receptor protein using Autodock Vina showing binding modes and energies in kcal/mol.
Mode | Affinity (kcal/mol) | rmsd (Lower bound) | rmsd (Upper bound) |
---|---|---|---|
1 | −1.9 | 0.000 | 0.000 |
2 | −1.8 | 22.832 | 22.832 |
3 | −1.8 | 20.717 | 20.717 |
4 | −1.6 | 14.807 | 14.807 |
5 | −1.6 | 10.847 | 10.847 |
6 | −1.6 | 22.732 | 22.732 |
7 | −1.6 | 16.240 | 16.240 |
8 | −1.6 | 23.040 | 23.040 |
9 | −1.6 | 10.675 | 10.675 |