An Artificial Receptor Based on Monodeoxy Calixarene
31 December 2000 (online)
Synthesis of an artificial receptor (1) based on monodeoxycalixarene as a core structure and its binding behavior to various ureas are presented. The structures of the complexes were predicted by molecular dynamics-molecular mechanics calculations. The difference of the association constants can be explained by the comparison of the structure of the complexes.
monodeoxy calixarene - host-guest complex - molecular mechanics - hydrogen bonding