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. Author manuscript; available in PMC: 2009 Dec 4.
Published in final edited form as: J Med Chem. 2008 Jul 17;51(15):4553–4562. doi: 10.1021/jm8001668

Figure 3.

Figure 3

(A) Alignment of the crystal structure and four conformations selected from the 5 ns MD simulation. (B) Orientations of three of the residues lining the binding site.

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