Table 1.
[Na+]-dependent Mg2+ Binding fractions for 24-bp B-DNA with [Mg2+] = 6 mM determined from the experiments,100 the PCTBI model, and the MCTBI model, respectively. DeltaE is the relative error between the theoretical prediction and the experimental result.
| Exp. data* | PCTBI | MCTBI | |||
|---|---|---|---|---|---|
| [Na+]/mM | fMg2+ | fMg2+ | ΔE** | fMg 2+ | ΔE |
| 0 | 0.467 ± 0.012 | 0.468 ± 0.37 ×10−4 | 0.17% | 0.469 ± 0.39 ×10−4 | 0.42% |
| 12 | 0.430 ± 0.004 | 0.413 ± 1.77 ×10−4 | 4.13% | 0.410 ± 1.50 ×10−4 | 4.81% |
| 18 | 0.400 ± 0.011 | 0.390 ± 2.49 ×10−4 | 2.59% | 0.386 ± 1.60 ×10−4 | 3.41% |
| 28 | 0.370 ± 0.002 | 0.355 ± 3.04 ×10−4 | 3.87% | 0.354 ± 1.82 ×10−4 | 4.10% |
| 48 | 0.304 ± 0.002 | 0.307 ± 3.10 ×10−4 | 0.93% | 0.300 ± 2.07 ×10−4 | 1.39% |
| 100 | 0.187 ± 0.004 | 0.195 ± 2.95 ×10−4 | 4.31% | 0.196 ± 1.73 ×10−4 | 4.85% |
*
The experiment data were provided in the Ref. 100.
**
The relative error ΔE = |(fpre − fexp)/fexp|, where fpre and fexp are the prediction and experiment data.