Table 5:
Number of DNA-associated sodium ions, in simulations of the mixed sequence DNA obtained using different solvent models. Standard errors of the mean are indicated. Agreement with experiment58 improves in the order: SPC/E+J/C, TIP3P+J/C, OPC+J/C, OPC+L/M HFE. Deviation from experiment is the largest for SPC/E+J/C. The experimental numbers were scaled to account for the 1 b.p. difference in length between the DNA fragment used in the experiment and that used in our simulation, see Methods.
Bulk salt concentration (M) | 0.5 |
---|---|
SPC/E+J/C | 38.1 ± 0.5 |
TIP3P+J/C | 32.6 ± 0.5 |
OPC+J/C | 33.0 ± 0.5 |
OPC+L/M HFE | 34.0 ± 0.5 |
Experiment | 35 ± 3 |