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Table 1 Docking calculation time profile using a one CPU core (PDB ID: [PDB:1JK9]).

From: Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures

  Time [sec.] Ratio [%]
P1. Initialization 0.0 0.0
P2. Receptor voxelization 0.3 0.2
P3. Forward FFT of receptor 0.1 0.0
P4. Ligand rotation & voxelization 12.9 6.9
P5. Forward FFT of ligand 69.8 37.5
P6. Convolution 27.4 14.7
P7. Inverse FFT 71.5 38.4
P8. Identifying best solutions 4.3 2.3
P9. Post processes 0.0 0.0
Total 186.4 100.0