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. 2015 Apr 1;7:12. doi: 10.1186/s13321-015-0059-5

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© Krivák and Hoksza; licensee Springer. 2015

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Detailed results. Table and heatmap showing success rates [%] of Fpocket predictions for original and rescored output list of pockets together with the nominal improvements made by PRANK rescoring algorithm on CHEN11 dataset (measured by D_CA and D_CC criteria for different integer cutoff distances). For the D_CA criterion the biggest improvements were achieved around the meaningful 4-6 Å cutoff distances. Displayed results are averaged numbers from ten independent 5-fold cross-validation runs. Four columns in each group show success rates calculated considering progressively more predicted pockets ranked at the top (where n is the number of known ligand-binding sites of the protein that includes evaluated binding site). For protein with just one binding site they correspond to Top-1, Top-3 and Top-5 cutoffs that were commonly used to report results in previous ligand-binding site prediction studies.