Table 1. Binding Free Energy (ΔG), Entropy (ΔS), and Enthalpy (ΔH) of Gemifloxacin, Paromomycin, Streptomycin, and Tobramycin with FmtA Calculated from Our Own N-Layered Integrated Molecular Orbital and Molecular Mechanics (ONIOM) Method Using B3LYP/6-311G (d,p): AMBER.
| complex | ΔG (kcal/mol) | ΔH (kcal/mol) | ΔS (cal/mol/K) |
|---|---|---|---|
| FmtA–gemifloxacin | –49.52 | –68.99 | –65.28 |
| FmtA–paromomycin | –50.45 | –69.22 | –62.94 |
| FmtA–streptomycin | –47.59 | –65.32 | –59.45 |
| FmtA–tobramycin | –45.23 | –64.08 | –63.23 |