Biochemistry 2018-04-18

pytc: Open-Source Python Software for Global Analyses of Isothermal Titration Calorimetry Data

Hiranmayi Duvvuri, Lucas C. Wheeler, Michael J. Harms

Index: 10.1021/acs.biochem.7b01264

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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.

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