ArticlePloS one2018
Bayesian analysis of isothermal titration calorimetry for binding thermodynamics.
Article in PloS one, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Multiple data set Bayesian analysis synergistically boosts ITC parameter precision.Biophysical journal · 2026Article
- Walking the tightrope: Balancing opposing cooperativities in dynein assembly.The Journal of biological chemistry · 2026Article
- Walking the Tightrope: Balancing Opposing Cooperativities as an Operating Principle in Dynein Assembly.bioRxiv : the preprint server for biology · 2026Article
- Introducing Quantitative Assessment of Michaelis Constant (KChembiochem : a European journal of chemical biology · 2025Article
- A Browser-Based Tool for Assessing Accuracy of Isothermal Titration Calorimetry-Derived Parameters: KChembiochem : a European journal of chemical biology · 2025Article
- Enzyme kinetics model for the coronavirus main protease including dimerization and ligand binding.Biophysical journal · 2025Article
- Improving parameter inference by resolving Bayesian prior ambiguity via multi-dataset analysis: Application to isothermal titration calorimetry.bioRxiv : the preprint server for biology · 2025Article
- A Practical Approach to Quantitatively Assessing Equilibrium-Constant Accuracy from a Single Binding Isotherm.Precision chemistry · 2025Article
- Bayesian Mechanistic Inference, Statistical Mechanics, and a New Era for Monte Carlo.Journal of chemical theory and computation · 2024Review
- The maximal and current accuracy of rigorous protein-ligand binding free energy calculations.Communications chemistry · 2023Article
- Bayesian Regression Quantifies Uncertainty of Binding Parameters from Isothermal Titration Calorimetry More Accurately Than Error Propagation.International journal of molecular sciences · 2023Article
- Quantifying cooperative multisite binding in the hub protein LC8 through Bayesian inference.PLoS computational biology · 2023Article
- Bayesian regression and model selection for isothermal titration calorimetry with enantiomeric mixtures.PloS one · 2022Article
- Differentiable biology: using deep learning for biophysics-based and data-driven modeling of molecular mechanisms.Nature methods · 2021Review
- CALX-CBD1 CaBiophysical journal · 2020Article
- Estimation of non-constant variance in isothermal titration calorimetry using an ITC measurement model.PloS one · 2020Article
- C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape AβACS omega · 2019Article
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Authors and funding
10 authors.
Funding
Abstract
Isothermal titration calorimetry (ITC) is the only technique able to determine both the enthalpy and entropy of noncovalent association in a single experiment. The standard data analysis method based on nonlinear regression, however, provides unrealistically small uncertainty estimates due to its neglect of dominant sources of error. Here, we present a Bayesian framework for sampling from the posterior distribution of all thermodynamic parameters and other quantities of interest from one or more ITC experiments, allowing uncertainties and correlations to be quantitatively assessed. For a series of ITC measurements on metal:chelator and protein:ligand systems, the Bayesian approach yields uncertainties which represent the variability from experiment to experiment more accurately than the standard data analysis. In some datasets, the median enthalpy of binding is shifted by as much as 1.5 kcal/mol. A Python implementation suitable for analysis of data generated by MicroCal instruments (and adaptable to other calorimeters) is freely available online.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.