Table 1 Binding energy estimated by Autodock Vina and AMBER11
Binding energy (Kcal/mol) | ||
|---|---|---|
Compounds | Autodock Vina | AMBER11 |
NAG1 | −7.2 | −59.0 |
NAG2 | −7.3 | −88.2 |
NAG3 | −7.8 | −25.5 |
NAG4 | −7.2 | −52.1 |
NAG5 | −7.0 | −95,2 |
NAG6 | −7.9 | −8.0 |
NAG7 | −8.0 | −72.2 |
NAG8 | −7.7 | −17.6 |
NAG9 | −9.1 | −83.7 |
NAG10 | −8.8 | −22.4 |