Table 3.
Optimal parameters for the HIV proteinase inhibition problem
| Parameter | Rodriguez-Fernandez et al. | Proposed algorithm |
|---|---|---|
| Sum of squares |
0.01997 |
0.01961 |
| k3 (s−1) |
6.235 |
5.764 |
| k42 (s−1) |
8,772 |
968.7 |
| k22 (s−1) |
473 |
129.9 |
| k52 (s−1) |
0.09726 |
0.01612 |
| k6 (s−1) |
0.01417 |
0.01337 |
| S0 exp. 1 (μM) |
24.63 |
24.61 |
| S0 exp. 2 (μM) |
23.32 |
23.4 |
| S0 exp. 3 (μM) |
26.93 |
27.05 |
| S0 exp. 4 (μM) |
13.34 |
13.97 |
| S0 exp. 5 (μM) |
12.5 |
12.5 |
| E0 exp. 1 (μM) |
0.005516 |
0.005286 |
| E0 exp. 2 (μM) |
0.005321 |
0.005168 |
| E0 exp. 3 (μM) |
0.006 |
0.006 |
| E0 exp. 4 (μM) |
0.004391 |
0.004428 |
| E0 exp. 5 (μM) |
0.003981 |
0.004105 |
| offset exp. 1 |
-0.004339 |
-0.004234 |
| offset exp. 2 |
-0.001577 |
-0.003478 |
| offset exp. 3 |
-0.01117 |
-0.0142 |
| offset exp. 4 |
-0.001661 |
-0.005177 |
| offset exp. 5 | 0.007133 | 0.00486 |