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- W4387477586 abstract "Precise binding towards structurally similar substrates is a common feature of biomolecular recognition. However, achieving such selectivity especially in distinguishing subtle differences in substrates with synthetic hosts can be quite challenging. Herein, we report a novel design strategy of combining different rigid skeletons to adjust the distance of recognition sites within the cavity, which allows for highly selective recognition of hydrogen bonding complementary substrates, such as 4‐chromanone. X‐ray single crystal structures and Density Functional Theory calculations confirmed that the distance of endo‐functionalized groups within the rigid cavity is crucial for achieving high binding selectivity via hydrogen bonding. The thermodynamic data and molecular dynamics simulations revealed a significant influence of the hydrophobic cavity on binding affinity. The new receptor possesses both high selectivity and high affinity, which provide valuable insights for the design of customized receptors." @default.
- W4387477586 created "2023-10-11" @default.
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- W4387477586 date "2023-10-10" @default.
- W4387477586 modified "2023-10-16" @default.
- W4387477586 title "Precise Recognition in Water by an Endo‐Functionalized Cavity: Tuning the Complementarity of Binding Sites" @default.
- W4387477586 doi "https://doi.org/10.1002/ange.202310115" @default.
- W4387477586 hasPublicationYear "2023" @default.
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