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. Author manuscript; available in PMC: 2010 Dec 1.
Published in final edited form as: J Comput Aided Mol Des. 2009 Jun 12:10.1007/s10822-009-9283-2. doi: 10.1007/s10822-009-9283-2

Fig 3.

Fig 3

Hot spots detected for DJ-1 via FTMap simulations. (A) Fragment clusters (magenta sticks) populating the top six consensus sites resulting from the simulations are superimposed on dimeric DJ-1. The largest consensus site (circled) is located in the region also detected via MSCS. (B) Close-up view of circled region in (A). C106 is labeled. (C) Close-up view of additional hot spots formed close to the dimer interface. Based on these data, we hypothesize that a pharmacological chaperone could be targeted to this region.