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Table 1 Total calculation time on one node and one thread to compute 176 dockings of protein-protein docking benchmark 4.0[12]

From: MEGADOCK 3.0: a high-performance protein-protein interaction prediction software using hybrid parallel computing for petascale supercomputing environments

Name

Running time [hr]

Speedup from ZDOCK 3.0

MEGADOCK 3.0

41.7

8.77

ZDOCK 2.3

157.3

2.32

ZDOCK 3.0

365.6

1.0

  1. Note that the real application of the docking is expected to be run using multi-nodes on a multi-thread system. Consequently, the calculations are performed much faster than the running time given in this table.
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Source Code for Biology and Medicine

ISSN: 1751-0473