Table 3. Results of trials searching globally over a single sphere.
| Target | Model | Original docking spheres† | Copies placed† | LLG score‡ | MapCC‡ | Run time§ (s) |
|---|---|---|---|---|---|---|
| GABA receptor | AF model of megabody | 6 | 0/5 (3) | (26–24) | (0.026–0.023) | 543 |
| β-Galactosidase | 5a1a chain A β-barrel domain (626–726) | 5 | 0/4 (5) | (30–21) | (0.081–0.056) | 735 |
| Respiratory complex | 3rko chain N | 4 | 0/1 (5) | (18–9) | (0.101–0.040) | 484 |
| 3rko chain M | 4 | 0/1 (1) | (184) | (0.280) | 246 | |
| MutS | 6i5f chain A (566–799) | 26 | 1/2 | 213 | 0.628 | 38 |
| CFTRΔF508 mutant | AF (264–281, 1204–1429) | 10 | 1/1 | 297 | 0.641 | 121 |
| AF (391–400, 440–633) | 18 | 1/1 | 220 | 0.647 | 127 |
†
Number of subvolume spheres used for the original automated docking search.
‡
Number of copies placed correctly (or incorrectly in parentheses).
§
Scores for incorrectly placed copies are in parentheses.
¶
Linux workstation with a 3.8 GHz Intel Core i7-9800X CPU with 16 cores but running primarily on a single thread.