Table 1. The interaction energy between PA and β-CD calculated with amber 11 program.
| Ecomplex (kcal/mol) | Ehost(kcal/mol) | Eguest(kcal/mol) | ΔbGo(kcal/mol) |
|---|---|---|---|
| -781.2432±9.4962 | -743.7955±8.9522 | -26.6304±1.8566 | -10.8174±1.9235 |
Host:β-CD; Guest:PA
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