Table 3 The parameters of the distributions of ΔΔΔGel calculated for hetero-complexes.
From: On the electrostatic component of protein-protein binding free energy
| Â | Amber-Charmm | Amber-OPLS | Charmm-OPLS |
|---|---|---|---|
Min | -36.6 (-33.8) | -41.5 (-75.9) | -33.7 (-183.5) |
Max | 54.3 (107.6) | 75.4 (100.1) | 56.7 (76.4) |
Mean | 5.8 (10.3) | 13.0 (19.0) | 7.3 (8.8) |
Median | 5.9 (8.6) | 10.8 (16.3) | 6.0 (7.3) |
RMS | 15.0 (17.0) | 21.5 (27.7) | 15.5 (23.6) |
Variance | 194 (183.4) | 295 (412) | 188 (481) |
R | 0.95 (0.94) | 0.92 (0.90) | 0.95 (0.89) |
slope | 0.96 (0.83) | 0.89 (1.08) | 0.91 (1.21) |