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. 2014 Mar 14;118(13):7163–7173. doi: 10.1021/jp412041d

Figure 3.

Figure 3

(a) Potential of mean force (PMF) profiles for the [β-CD2:guest] complex formation in the BHHP binding mode and (b) representative inclusion configurations along ξ. β-CD dimer and guest molecules are shown with stick and space-filling models, respectively. The glucose group of guest is colored in blue and isoflavone skeletons in orange.