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. 2016 Jan 27;10:455–463. doi: 10.2147/DDDT.S98466

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© 2016 Fu et al. This work is published and licensed by Dove Medical Press Limited

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Backbone RMSDs are shown as a function of time for apo MD-2 and XN/MD-2 complex structures at 50 ns.

Notes: (A) Time evolution of the RMSD of MD-2 and XN are shown with black lines and red lines, respectively. (B) The time evolution of the RMSD of apo MD-2. (C) The XN/MD-2 complex system. The alignments of starting (wheat) and final (blue) structures. (D) Apo MD-2 system. The alignments of starting (wheat) and final (blue) structures.

Abbreviations: MD-2, myeloid differentiation protein 2; RMSD, root-mean square deviation; XN, xanthohumol.