Table 3 Running times for the different parts of BINDSURF
From: High-Throughput parallel blind Virtual Screening using BINDSURF
size | % GEN_GRID | % GEN_CONF | % GEN_INI | % SURF_SCREEN | BINDSURF running time |
|---|---|---|---|---|---|
64 | 7.8 | 82.7 | 2.7 | 6.8 | 29.4 |
128 | 6.2 | 64.8 | 2.9 | 26.1 | 37.5 |
192 | 5.0 | 51.1 | 3.6 | 40.3 | 47.6 |
256 | 4.5 | 45.6 | 3.8 | 46.2 | 53.3 |
320 | 4.1 | 41.8 | 3.6 | 50.4 | 58.1 |
356 | 3.6 | 38.0 | 3.9 | 54.5 | 63.9 |