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. 2011 Feb 9;3(2):64–72. doi: 10.1007/s12177-011-9057-7

Table 1.

Energy minimized values of ligands of PON2

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