TABLE 3.
Results for model protein with heuristic and partly numerical estimates of reaction probability
| Heuristic
|
Partly numerical
|
|||
|---|---|---|---|---|
| wt ctl? | No | Yes | No | Yes |
| tstep(s) | 7.69 × 10−6 | 8.85 × 10−6 | 7.68 × 10−6 | 8.83 × 10−6 |
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1.94 × 105 | 1.48 × 105 | 1.37 × 105 | 1.33 × 105 |
| Ntrials | 200,000 | 200,000 | 200,000 | 200,000 |
| CPU(h) | 82.8 | 73.0 | 58.4 | 65.3 |
| EB | 4.95 × 10−6 | 8.66 × 10−6 | 5.48 × 10−6 | 8.52 × 10−6 |
| VarB | 6.41 × 10−8 | 4.06 × 10−9 | 4.92 × 10−8 | 3.40 × 10−9 |
| k(M−1s−1) | 1.05 × 105 | 1.83 × 105 | 1.16 × 105 | 1.80 × 105 |
| Δk(M−1s−1) | 2.35 × 104 | 5.91 × 103 | 2.06 × 104 | 5.41 × 103 |
| tmethod(h) | 1667.3 | 30.4 | 735.3 | 23.5 |
