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. Author manuscript; available in PMC: 2014 Sep 20.
Published in final edited form as: J Comput Aided Mol Des. 2010 Sep 30;24(11):943–956. doi: 10.1007/s10822-010-9386-9

Fig. 3.

Fig. 3

a Canonical (red) and allosteric (yellow) sites as mapped into superimposed SHP models. Positively charged residues are shown in sticks. b Superimposition of the selected binding poses of compounds 2–4 as resulting from docking experiments. Solutions occupying the allosteric site are yellow colored, solutions occupying the canonical site are red colored. The adamantane moiety is highlighted in sticks. The conformation of the side chain of arginines changes in response to ligand induced fit