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Updated: Aug 30, 2026

Determination of Protein-ligand Interactions Using Differential Scanning Fluorimetry
Published on: September 13, 2014
Data analysis in the determination of stoichiometries and stability constants of complexes
Juan M Bosque-Sendra1, Eva Almansa-López, Ana Ma García-Campaña
1School of Qualimetrics, Department of Analytical Chemistry, University of Granada, Fuentenueva, s/n, E-18071 Granada, Spain.
Abstract:
The determination of stoichiometries and stability constants of complexes by means of UV-visible spectrophotometry applying traditional methods does not evaluate the quality of the values obtained, since the classic application of these methods does not provide coverage intervals. However, the use of chemometric techniques in different steps of the application of these methods makes it possible to obtain not only a real value of the characteristics of the complexes but a validation of such a value. In this paper a methodology is proposed that combines some traditional methods, three different regression models (LMSR, LSR and LSPR) and a small number of mathematical algorithms. This methodology is able to estimate, in a simple and rigorous way, the stoichiometry and stability constant of a complex and its corresponding uncertainties.
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