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Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.

Cooperative binding of ion pairs to receptors is crucial for the manipulation of salts, but a comprehensive understanding of cooperativity has been elusive. To this end, we combine experiment and theory to quantify ion-pair binding and to separate allostery from electrostatics to understand their re...

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Published in:Journal of the American Chemical Society Vol. 137; no. 30; pp. 9746 - 9758
Main Authors: Bo Qiao, Sengupta, Arkajyoti, Yun Liu, McDonald, Kevin P., Pink, Maren, Anderson, Joseph R., Raghavachari, Krishnan, Flood, Amar H.
Format: Article
Published: American Chemical Society 8/5/2015
Subjects:
Allosteric regulation
Ion pairs
Physiological control systems
Density functional theory
Ions
Online Access:View this record in EBSCOhost