Table 3. Enthalpy differences between open and closed conformations. The values are computed between systems with same number and kind of molecules.
| Ligand | ΔHoc (kcal/mol) |
|---|---|
| Apo | −9.7 ± 2.8 |
| ADP·Mg2+ | −25.3 ± 3.1 |
| ATP·Mg2+ | −54.1 ± 4.1 |
| Ligand | ΔHoc (kcal/mol) |
|---|---|
| Apo | −9.7 ± 2.8 |
| ADP·Mg2+ | −25.3 ± 3.1 |
| ATP·Mg2+ | −54.1 ± 4.1 |