Abstract
Molecular docking with a large number of guests, followed by experimental verification, was used to determine the selectivity of a synthetic host molecule and resulted in a hit rate of 30 % (see schematic outline of procedure). The identification of ligands for a given receptor by means of screening may represent a paradigm shift in supramolecular host–guest chemistry.
Original language | English |
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Pages (from-to) | 1004-1008 |
Journal | Angewandte Chemie, International Edition in English |
Volume | 41 |
Issue number | 6 |
DOIs | |
Publication status | Published - 2002 |
Keywords
- Cyclodextrin
- Fluorescence
- Dansyl group
- Binding constants