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. Author manuscript; available in PMC: 2008 Sep 22.
Published in final edited form as: Chem Rev. 2006 May;106(5):1589–1615. doi: 10.1021/cr040426m

Figure 2.

Figure 2

Two predicted binding conformations of a HIV-1 integrase inhibitor, 5CITEP, to a MD snapshot of the protein. The green conformation is similar to that in the crystal structure392 and the purple is in a secondary predicted binding trench.