Thermott: A comprehensive online tool for protein-ligand binding constant determination.

Drug Discov Today

Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life, Sciences Center, Vilnius University, Saulėtekio 7, 10257 Vilnius, Lithuania.

Published: August 2022

The thermal shift assay is one of the most universal techniques to determine protein-ligand affinities ranging from millimolar to picomolar levels in a single ligand dosing experiment. However, the complexity of thermodynamic data analysis leads to an underuse of this technique. We have developed a user-friendly, open-source, free online analysis software to study any protein-ligand interaction thermal shift data and yield a comprehensive thermodynamic characterization of the binding reaction.

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Source
http://dx.doi.org/10.1016/j.drudis.2022.05.008DOI Listing

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