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. Author manuscript; available in PMC: 2013 Aug 30.
Published in final edited form as: J Chem Inf Model. 2012 Jul 6;52(7):1821–1832. doi: 10.1021/ci3000997

Figure 1.

Figure 1

Ligand structures used in this study (Table 1): IMZ in system T-1 (PDB:1RV1), DIZ in system T-2 (PDB:1T4E), YIN in system T-3 (PDB:3JZK), K23 in system T-4 (PDB:3LBK), and WW8 in system X-1 (PDB:3LBJ).