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

Table 2

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

Module	Time (seconds)	Proportion of total time (%)
IO	1462	3.5
Crossover, mutation, selection, and nondominated sorting	276	0.7
Rotation and translation of ligand, and rotation of residues	2169	5.2
Calculation of objective functions	37323	90.6
Total time	41230	100

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