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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 3. — The relationships between the site-moiety map and 15 co-crystallized ligands of TK. (A) The mapping between four inferred anchors (binding pocket with conserved interacting residues) and these 15 ligands in the active site. (B) The moieties of these 15 ligands in each anchor. (C) The moiety compositions of 1000 docked compounds (SiMMap) and these 15 ligands.