Table 1.
Ligands | Energy levels with minimization maximum of 1,000 steps | |
---|---|---|
Initial potential energy (KCal/mol) | Final potential energy (KCal/mol) | |
Homocysteine thiolactone | 26.572 | 13.957 |
Δ Valero lactone | 35.825 | 11.541 |
Γ Thiobutyro lactone | 18.379 | 11.080 |
2- Naphthyl acetate | 47.984 | 22.663 |
Benzyl acetate | 40.820 | 30.240 |
Phenyl acetate | 36.688 | 27.350 |
Paraoxon | 198.835 | 78.844 |