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The number of available high-resolution structures of protein-DNA complexes makes it possible to develop more accurate knowledge-based potentials and protein-DNA docking methods [ 3- 5].
Two freely available traditional docking methods AUTODOCK Vina [61] (http://vina.scripps.edu/) and DOCK 6 [62] (http://dock.compbio.ucsf.edu/DOCK_6/) were compared to FINDSITEcomb.
The performance is significantly better than other existing docking methods.
Three docking methods were considered.
In general, docking methods can be divided into ab initio and data-driven docking methods.
The reliability of docking results strongly depends on the quality of the docking methods.
The current study shows that using interface predictions, the performance gap between data-driven docking and ab initio docking methods for blind docking cases is nearly closed.
The current study shows that blind, prediction-driven docking using CPORT and HADDOCK is competitive with ab initio docking methods.
Automated ligand docking methods are widely used for receptor-based virtual screening [14], [15].
When exploring a consensus of the docking methods we observed a correlation of 57%.
It is not the goal of the present study to outperform ab initio docking methods in the context of docking with zero experimental data.
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