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Beilstein J. Org. Chem. 2018, 14, 838–848, doi:10.3762/bjoc.14.69
Schematic representation of (a) the cholesterol molecule; (b) the β-cyclodextrin molecule.
(a) Crystal structure of the inclusion compound of cholesterol in β-CD dimer. Water molecules are o...
RMSD over time for all CHL (green) and β-CD (blue) atoms (a) at 300 K and (b) at 340 K.
Representative snapshots of the CHL/β-CD inclusion complex at 0 (a, c) and 11 ns (b, d) in timescal...
(a) Distance between the O1 atom (CHL) and the centroid DK of the O4n atoms of host A at 300 (green...