Binding of cyclic carboxylates to octa-acid deep-cavity cavitand

As part of the fourth statistical assessment of modeling of proteins and ligands (sampl.eyesopen.com) prediction challenge, the strength of association of nine guests ( 1 – 9 ) binding to octa-acid host was determined by a combination of 1 H NMR and isothermal titration calorimetry. Association cons...

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Veröffentlicht in:	Journal of computer-aided molecular design 2014-04, Vol.28 (4), p.319-325
Hauptverfasser:	Gibb, Corinne L. D., Gibb, Bruce C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Animal Anatomy Assessments Benzoates - chemistry Binding Binding energy Binding Sites CAD Calorimetry Carboxylic Acids - chemistry Chemistry Chemistry and Materials Science Computer aided design Computer Applications in Chemistry Constants Cyclization Ethers, Cyclic - chemistry Free energy Histology Ligands Mathematical models Models, Molecular Molecular chemistry Morphology Physical Chemistry Proteins Resorcinols - chemistry Strength Thermodynamics Titration calorimetry
Online-Zugang:	Volltext
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