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. 2011 Feb 24;6(2):e16903. doi: 10.1371/journal.pone.0016903

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Sala 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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The data beside each VS step show the number of molecules that survived it. The ACTIVES and DECOYS columns refer to known hIKK-2 and kinase decoys used during VS validation, respectively. The ZINC NPs column refers to data obtained with the ZINC NP subset (http://wiki.compbio.ucsf.edu/wiki/index.php/Natural_products_database). Enrichment factors were calculated during the validation of each step of the VS protocol as the quotient between the fraction of actives in the sample that survived the VS step and the fraction of actives in the sample before the VS step.