๐”– Bobbio Scriptorium
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Theoretical studies in molecular recognition: Rebek's cleft

โœ Scribed by Kenny B. Lipkowitz; Richard Zegarra

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
678 KB
Volume
10
Category
Article
ISSN
0192-8651

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โœฆ Synopsis

Molecular recognition in Fkbeks cleft was studied with the MM2 force field. A new computational protocol was used t.o determine the free energies of substrate binding to this topologically unique model receptor. The energies and structural features of substrate-receptor complexes reveal that molecular recognition involves ammonium ion binding to the interior of the cleft and aromatic n-stacking on the exterior of the cleft.

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