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- W1696685499 abstract "Molecular recognition is a key process in non-covalent interactions, which determines, amongothers, host-guest complexation, drug action and protein-protein interaction. A simple and attractive formulationis the lock-and-key analogy defining the host as a lock accommodating the guest as a key. Westress three major aspects of molecular recognition, determining both complementarity between host andguest and similarity within a group of guest molecules. These aspects are: steric, i.e. maximization ofclose contacts, electrostatic, i.e. maximization of electrostatic attraction between host and guest, as well ashydrophobic, i.e. avoiding hydrophobic hydration, which can be reached by the maximization of apolarcontacts between interacting molecules. Some examples are presented from our laboratory: the complexesof acylaminoacyl peptidase with small peptides, the effect of heparin binding on inhibitory potency of C1-inhibitor as well as small-molecule ligand binding to prolyl oligopeptidase and calmodulin." @default.
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- W1696685499 date "2009-06-30" @default.
- W1696685499 modified "2023-09-23" @default.
- W1696685499 title "Theoretical Aspects of Molecular Recognition" @default.
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