Table 3.
The effect of the membrane dielectric constant on absolute (ΔG) and relative (ΔΔG) binding affinities. See TABLE 1 for additional information. The raw data used to generate these results is available in Supporting Information (Table S1).
| MG Corrected | No MG Correction | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| EPSMEM | RMSD | RMSD(ΔΔG) | Slope | p-value | R | RMSD | RMSD(ΔΔG) | Slope | p-value | R |
| 1 | 23 | 10 | 11 | 3.4E-02 | 0.67 | 27 | 15 | 12 | 0.10 | 0.54 |
| 2 | 22 | 9 | 9.5 | 3.1E-02 | 0.68 | 26 | 14 | 11 | 0.11 | 0.54 |
| 4 | 19 | 6 | 8.1 | 6.7E-03 | 0.79 | 23 | 10 | 9.6 | 6.1E-02 | 0.61 |
| 7 | 20 | 7 | 7.6 | 2.4E-02 | 0.70 | 24 | 11 | 9.1 | 0.12 | 0.53 |