Table 2. Summary of parameters used to describe the WCA interactions between ions and neutral particles.
See text section ‘Coarse-grained explicit ion model’ for definitions of various parameters.
| Coarse-grained pair | (kcal/mol) | (Å) |
|---|---|---|
| Na+-S* | 0.239 | 4.315 |
| Na+-A† | 0.239 | 3.915 |
| Na+-T‡ | 0.239 | 4.765 |
| Na+-G§ | 0.239 | 3.665 |
| Na+-C¶ | 0.239 | 4.415 |
| Na+-AA** | 0.239 | 4.065 |
| Mg2+-S | 0.239 | 3.806 |
| Mg2+-A | 0.239 | 3.406 |
| Mg2+-T | 0.239 | 4.256 |
| Mg2+-G | 0.239 | 3.156 |
| Mg2+-C | 0.239 | 3.906 |
| Mg2+-AA** | 0.239 | 3.556 |
| Cl−-S | 0.239 | 5.1225 |
| Cl−-A | 0.239 | 4.7225 |
| Cl−-T | 0.239 | 5.5725 |
| Cl−-G | 0.239 | 4.4725 |
| Cl−-C | 0.239 | 5.2225 |
| Cl−-AA** | 0.239 | 4.8725 |
Sugar.
Adenine base.
Thymine base.
Guanine base.
Cytosine base.
Non-charged amino acids.