pytc：用于等温滴定量热法数据全局分析的开源Python软件。
pytc: Open-Source Python Software for Global Analyses of Isothermal Titration Calorimetry Data.
作者信息
Duvvuri Hiranmayi, Wheeler Lucas C, Harms Michael J
机构信息
Department of Chemistry and Biochemistry , University of Oregon , Eugene , Oregon 97403-1253 , United States.
Institute of Molecular Biology , University of Oregon , Eugene , Oregon 97403 , United States.
出版信息
Biochemistry. 2018 May 8;57(18):2578-2583. doi: 10.1021/acs.biochem.7b01264. Epub 2018 Apr 18.
Abstract
Here we describe pytc, an open-source Python package for global fits of thermodynamic models to multiple isothermal titration calorimetry experiments. Key features include simplicity, the ability to implement new thermodynamic models, a robust maximum likelihood fitter, a fast Bayesian Markov-Chain Monte Carlo sampler, rigorous implementation, extensive documentation, and full cross-platform compatibility. pytc fitting can be done using an application program interface or via a graphical user interface. It is available for download at https://github.com/harmslab/pytc .
摘要
在此，我们介绍pytc，这是一个用于将热力学模型全局拟合到多个等温滴定量热实验的开源Python包。其关键特性包括简单性、实现新热力学模型的能力、强大的最大似然拟合器、快速的贝叶斯马尔可夫链蒙特卡罗采样器、严格的实现、丰富的文档以及完全的跨平台兼容性。可以使用应用程序接口或通过图形用户界面进行pytc拟合。可在https://github.com/harmslab/pytc 下载。
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