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. 2015 Feb 25;17(1):27. doi: 10.1186/s13058-015-0529-8

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© Singh et al.; licensee BioMed Central. 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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Graphic representation of oestrogen receptor-alpha activation function 2 pocket and in silico screening pipeline. (A) Graphic representation of the activation function 2 (AF2) site on the surface of the oestrogen receptor-alpha (ERα) ligand-binding domain (LBD) [PDB:3UUD] AF2 pocket is shown in cyan, coactivator in magenta and oestradiol (E2) in green. (B) Virtual screening protocol used for the discovery of AF2 binders. The numbers indicate compounds obtained after each screening step. eHiTS, Electronic high-throughput screening; r.m.s.d., Root mean square deviation.