Molecular Docking for Ligand-Receptor Binding Process Based on Heterogeneous Computing

Table 1

Time elapsed for different modules of the semiflexible experiment in iFitDock.

Submodule	Time (seconds)	Proportion of total time (%)
IO	4.2	0.16
Crossover, mutation, selection, and nondominated sorting	298	11.26
Rotation and translation of ligand	345	13
Calculation of objective functions	1999	75.58
Total time	2646.2	100

This table lists the elapsed time, and the most time-consuming part is the calculation of objective functions.