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. Author manuscript; available in PMC: 2013 Aug 29.
Published in final edited form as: J Chem Inf Model. 2012 Jun 25;52(7):1886–1897. doi: 10.1021/ci300121p

Figure 10.

Figure 10

Figure 10

(a) Final comprehensive LF pharmacophore hypothesis UM1, superimposed on the LF active site (1YQY.pdb55), with key receptor residues, catalytic Zn2+ (magenta sphere), and three binding subsites displayed (MOE 2010.10). (b) List of features and their radii in UM1: Hyd = hydrophobic; Acc = hydrogen-bond acceptor; Don = hydrogen-bond donor