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. 2010 Jun 2;38(Web Server issue):W424–W430. doi: 10.1093/nar/gkq480

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© The Author(s) 2010. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 2. — The SiMMap server analysis results using estrogen receptor (ER) and 1000 docked compounds as the query. (A) The user interface for uploading target protein structure and docked compounds. (B) The site-moiety map has one hydrogen-bonding and three van der Waals anchors for ER. Each anchor contains the moiety structures and composition, anchor type, and key residues in the binding pocket. (C) The details of moiety structures and residue–moiety interactions in the H1 anchor. (D) The SiMMap scores, ranks and the relationships between anchors and moieties of query compounds.