Literature DB >> 26702712

Binding Hydrated Anions with Hydrophobic Pockets.

Punidha Sokkalingam1, Joshua Shraberg2, Steven W Rick2, Bruce C Gibb1.   

Abstract

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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Year:  2015        PMID： 26702712      PMCID： PMC5571644          DOI： 10.1021/jacs.5b10937

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  49 in total

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8.  HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host-Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy Contributions.

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