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. Author manuscript; available in PMC: 2015 May 14.
Published in final edited form as: Methods. 2014 Sep 8;71:77–84. doi: 10.1016/j.ymeth.2014.08.017

Fig. 3.

Fig. 3

Enrichment curves in virtual screening using the experimental bound crystal structure (blue), experimental crystal structure relaxed in the unbound form by FG-MD (black), and the I-TASSER model (red) compared to random selection (green).