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. Author manuscript; available in PMC: 2011 Sep 14.
Published in final edited form as: J Chem Theory Comput. 2010 Sep 14;6(9):2762–2769. doi: 10.1021/ct1004017

Figure 1.

Figure 1

(A) Structure of an ester-containing molecule docked into HIV-1 reverse transcriptase (RT), and (B) the 1dtt crystal structure of an analog of trovirdine bound to HIV-RT illustrating an E, Z conformer for a thiourea moiety.