Binding Hydrated Anions with Hydrophobic Pockets

Using a combination of isothermal titration calorimetry and quantum and molecular dynamics calculations, we demonstrate that relatively soft anions have an affinity for hydrophobic concavity. The results are consistent with the anions remaining partially hydrated upon binding, and suggest a novel st...

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Bibliographic Details
Published inJournal of the American Chemical Society Vol. 138; no. 1; pp. 48 - 51
Main Authors Sokkalingam, Punidha, Shraberg, Joshua, Rick, Steven W, Gibb, Bruce C
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 13.01.2016
Subjects
Anions - chemistry
Calorimetry - methods
Hydrophobic and Hydrophilic Interactions
Molecular Structure
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Summary:Using a combination of isothermal titration calorimetry and quantum and molecular dynamics calculations, we demonstrate that relatively soft anions have an affinity for hydrophobic concavity. The results are consistent with the anions remaining partially hydrated upon binding, and suggest a novel strategy for anion recognition.
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ISSN:0002-7863
1520-5126
DOI:10.1021/jacs.5b10937