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. 2011 Sep 19;6(9):e24657. doi: 10.1371/journal.pone.0024657

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Pierce et al.

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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(A) ZDOCK 3.0 running time versus ZDOCK 3.0.2 running time on a single 2.8 GHz processor; outlier test cases 2VIS, 1I4D, and 1N2C are labeled. (B) ZDOCK 3.0 grid size versus ZDOCK 3.0 running time for all test cases. Grid size is the product of the number of points in each dimension of the cubic grid, calculated based on the sum of the cubic grids calculated for the ligand and receptor individually. (C) ZDOCK 3.0.2 grid size versus ZDOCK 3.0.2 running time for all test cases. Grid size is the product of the number of grid points in each dimension, N_x*N_y*N_z, where N_x is calculated using the number of grid points for the receptor in the x dimension plus the number of points of the ligand grid in the x dimension (which is equal to the number of points for the y and z dimensions as the ligand is in a cubic grid), and likewise for the other dimensions N_y and N_z.