pytc: a python package for analysis of Isothermal Titration Calorimetry experiments

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...

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Bibliographic Details
Published inbioRxiv
Main Authors Duvvuri, Hiranmayi, Wheeler, Lucas C, Harms, Michael
Format Paper
LanguageEnglish
Published Cold Spring Harbor Cold Spring Harbor Laboratory Press 15.12.2017
Subjects
Bayesian analysis
Calorimetry
Chemical bonds
Mathematical models
Monte Carlo simulation
Titration
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Summary: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 can be used as either a programming API or with a GUI. It is available for download at: https://github.com/harmslab/pytc.
DOI:10.1101/234682