Table 1 Execution times of MOLA using 1 (serial), 2, 6 and 10 processors (parallel).
Execution time (minutes) | ||||||
|---|---|---|---|---|---|---|
PDB code | Receptor-Ligand Complex | Serial | Parallel | |||
1 | 2 | 6 | 10 | |||
1RBP | Retinol binding protein-retinol | Vina | 1110 | 593 | 216 | 132 |
AutoDock4 | 2650 | 1385 | 499 | 310 | ||
1HVR | HIV-1 protease-XK263 | Vina | 1034 | 536 | 195 | 120 |
AutoDock4 | 2646 | 1366 | 484 | 306 | ||
3PTB | Trypsin-benzamidine | Vina | 1108 | 583 | 211 | 129 |
AutoDock4 | 2627 | 1367 | 495 | 302 | ||
1STP | Streptavidine-biotin | Vina | 1025 | 535 | 193 | 119 |
AutoDock4 | 2646 | 1369 | 493 | 305 | ||