Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

Bodee Nutho, Wasinee Khuntawee, Chompoonut Rungnim, Piamsook Pongsawasdi, Peter Wolschann, Alfred Karpfen, Nawee Kungwan and Thanyada Rungrotmongkol

Beilstein J. Org. Chem. 2014, 10, 2789–2799. doi:10.3762/bjoc.10.296

Supporting Information

Supporting Information File 1: Decomposition of the free energy (kcal/mol) into the contributions from A- and B-rings of fisetin.
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