From: Extending rule-based methods to model molecular geometry and 3D model resolution
Parameter | Native | S-shaped | U-shaped |
---|---|---|---|
Cutoff distance (nm) | 7.0–8.7 | 6.8–8.3 | 6.8–8.6 |
k f1 (molecule −1 s −1) | 1.00 | 1.00 | 1.00 |
k f2 (molecule −1 s −1) | 0.006595 | 0.003558 | 0.007315 |
k r (s −1) | 0.01 | 0.01 | 0.01 |
σ | 0.000703 | 0.000135 | 0.000469 |