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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 1. — Overview of the SiMMap server for the site-moiety map using herpes simplex virus type-1 thymidine kinase (TK) and 1000 docked compounds as the query. (A) Main procedure; (B) the merged protein–compound interaction profile; (C) the pocket–moiety interaction preferences of three anchors: E1 (electrostatic), H2 (hydrogen-bonding) and V1 (van der Waals). Each anchor consists of a binding pocket with conserved interacting residues, the moiety composition and anchor type; (D) the site-moiety map with four anchors.