Thermott：用于测定蛋白质-配体结合常数的综合在线工具。
Thermott: A comprehensive online tool for protein-ligand binding constant determination.
机构信息
Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life, Sciences Center, Vilnius University, Saulėtekio 7, 10257 Vilnius, Lithuania.
Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life, Sciences Center, Vilnius University, Saulėtekio 7, 10257 Vilnius, Lithuania.
出版信息
Drug Discov Today. 2022 Aug;27(8):2076-2079. doi: 10.1016/j.drudis.2022.05.008. Epub 2022 May 14.
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.
热迁移分析是最通用的技术之一，可在单次配体给药实验中测定从毫摩尔到皮摩尔级别的蛋白质-配体亲和力。然而，由于热力学数据分析的复杂性，该技术的应用并不广泛。我们开发了一个用户友好、开源、免费的在线分析软件，用于研究任何蛋白质-配体相互作用的热迁移数据，并对结合反应进行全面的热力学特征描述。
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