NATIVE+F1+F3+F4+F7 – no average | |||||
---|---|---|---|---|---|
Score funct. | logP(B1) | logP(B10) | F.E. | corr. coeff. | RMSD (Ã…) best score |
contact + pc | -1.08 | -1.08 | 13.8 | 0.62 | 3.03 |
FRST | -1.38 | -1.94 | 23.2 | 0.48 | 2.61 |
MM | -0.25 | -1.39 | 10.6 | 0.21 | 7.45 |
MM/GBSA | -1.71 | -2.02 | 29.6 | 0.66 | 2.40 |
MM/PBSA | -1.79 | -2.02 | 23.2 | 0.58 | 2.35 |
NATIVE+F1+F3+F4+F7 – with average | |||||
Score funct. | logP(B1) | logP(B10) | F.E. | corr. coeff. | RMSD (Ã…) best score |
contact + pc | -0.91 | -0.91 | 16.3 | 0.65 | 3.77 |
FRST | -1.79 | -2.78 | 43.2 | 0.54 | 2.39 |
MM | -0.70 | -1.61 | 14.8 | 0.25 | 4.25 |
MM/GBSA | -1.14 | -1.67 | 36.1 | 0.72 | 2.88 |
MM/PBSA | -1.54 | -2.12 | 28.6 | 0.67 | 2.52 |