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1 article(s) from Papaioannou, Andreas

Crystal structure of the inclusion complex of cholesterol in β-cyclodextrin and molecular dynamics studies

Elias Christoforides,
Andreas Papaioannou and
Kostas Bethanis

Beilstein J. Org. Chem. 2018, 14, 838–848, doi:10.3762/bjoc.14.69

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Graphical Abstract

Figure 1: Schematic representation of (a) the cholesterol molecule; (b) the β-cyclodextrin molecule.

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Figure 2: (a) Crystal structure of the inclusion compound of cholesterol in β-CD dimer. Water molecules are o...

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Figure 3: RMSD over time for all CHL (green) and β-CD (blue) atoms (a) at 300 K and (b) at 340 K.

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Figure 4: Representative snapshots of the CHL/β-CD inclusion complex at 0 (a, c) and 11 ns (b, d) in timescal...

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Figure 5: (a) Distance between the O1 atom (CHL) and the centroid D_K of the O4n atoms of host A at 300 (green...

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Published 11 Apr 2018

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