Table 3. Free energy differences (in kcal/mol) for the described transformations.
Bound state | Unbound state (in solution) | ∆∆G bind | Exp. a | |
---|---|---|---|---|
MOP→HMP | 16.7 ± 0.6 | -17.9 ± 0.5 | -1.2 ± 1.1 | -0.4±0.3 |
HMP→MOP | -17.5 ± 0.6 | 18.3 ± 0.2 | 0.8 ± 0.8 | 0.4±0.3 |
Error estimates are included.
a Calculated as