Unraveling the R-Enantiomer Preference in Mirror-Image Cyclodextrin: An Integrated Multiscale Computational Study.
L-β-Cyclodextrin (L-CD), the mirror-image isomer of native β-cyclodextrin, provides a conceptually novel chiral microenvironment for pharmaceutical enantioseparation; however, its full separation potential and recognition mechanism remain largely unexplored, hindering its rational development. Herein, a multiscale comp...