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Optimal set of residue-based dielectric constants (εin(k)) for the targets individually and best overall.
| Res Type | CDK2 | FactorXa | PDE10A | p38_u | Optimal | ||||
|---|---|---|---|---|---|---|---|---|---|
| Ser | 20 | 1 | 1 | 1 | 20 | 1 | 20 | 20 | 1 |
| Thr | 20 | 2 | 20 | 2 | 1 | 2 | 1 | 1 | 4 |
| Asn | 1 | 1 | 20 | 1 | 20 | 8 | 1 | 4 | 2 |
| Gln | 1 | 1 | 1 | 20 | 4 | 2 | 1 | 1 | 1 |
| His | 20 | 1 | 20 | 20 | 20 | 1 | 1 | 20 | 4 |
| Lys | 2 | 2 | 20 | 1 | 20 | 20 | 1 | 1 | 2 |
| Arg | 1 | 1 | 1 | 1 | 2 | 1 | 20 | 20 | 20 |
| Asp | 1 | 8 | 20 | 20 | 2 | 20 | 20 | 20 | 2 |
| Glu | 20 | 20 | 1 | 1 | 1 | 1 | 20 | 20 | 8 |
| Other | 1 | 1 | 4 | 8 | 20 | 4 | 20 | 2 | 4 |
| R2=0.56 | PI=0.76 | R2=0.68 | PI=0.90 | R2=0.53 | PI=0.71 | R2=0.58 | PI=0.75 | ||
