Table 1.
Values of <κ2(t)>T and <E(t)> for different MD simulations in this study
| System | Solvent | <κ2(t)>T, (± σ∗) | <E(t)> |
|---|---|---|---|
| 5CRX: antiparallel Cre-DNA synaptic complex | aqueous | 0.71 (± 0.13) | 0.98 |
| 5CRX: parallel Cre-DNA synaptic complex | aqueous | 1.17 (± 0.16) | 0.98 |
| 3CRX: Cre-DNA Holliday junction intermediate (scenario 1) | aqueous | 0.28 (± 0.03) | 0.99 |
| 3CRX: Cre-DNA Holliday junction intermediate (scenario 1) | water/glycerol | 0.12 (± 0.02) | 0.96 |
| 3CRX: Cre-DNA Holliday junction intermediate (scenario 2) | aqueous | 0.70 (± 0.12) | 0.99 |
| LoxP duplex | aqueous | 0.36 (± 0.04) | 0.99 |
Lower-bound uncertainties, which were obtained by block averaging (see Fig. S1), are given as ±1 SE (±σ∗).