ArticleBiophysical journal2018
Temperature-Dependent Estimation of Gibbs Energies Using an Updated Group-Contribution Method.
Article in Biophysical journal, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Thermo-flux: generation and analysis of thermodynamic-stoichiometric metabolic network models.Molecular systems biology · 2026Article
- Production of Hydrogen-Rich Syngas via Biomass-Methane Co-Pyrolysis: Thermodynamic Analysis.Polymers · 2025Article
- Multi-scale reactor designs extend the physical limits ofbioRxiv : the preprint server for biology · 2024Article
- Bottom-up parameterization of enzyme rate constants: Reconciling inconsistent data.Metabolic engineering communications · 2024Article
- Improving pathway prediction accuracy of constraints-based metabolic network models by treating enzymes as microcompartments.Synthetic and systems biotechnology · 2023Article
- Warm Cells, Hot Mitochondria: Achievements and Problems of Ultralocal Thermometry.International journal of molecular sciences · 2023Review
- Real-Time Temperature Sensing Using a Ratiometric Dual Fluorescent Protein Biosensor.Biosensors · 2023Article
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- eQuilibrator 3.0: a database solution for thermodynamic constant estimation.Nucleic acids research · 2022Article
- dGPredictor: Automated fragmentation method for metabolic reaction free energy prediction and de novo pathway design.PLoS computational biology · 2021Article
- Quantum Mechanical Methods Predict Accurate Thermodynamics of Biochemical Reactions.ACS omega · 2021Article
- Physicochemical and metabolic constraints for thermodynamics-based stoichiometric modelling under mesophilic growth conditions.PLoS computational biology · 2021Article
- The Expanding Computational Toolbox for Engineering Microbial Phenotypes at the Genome Scale.Microorganisms · 2020Review
- Article
- Near-equilibrium glycolysis supports metabolic homeostasis and energy yield.Nature chemical biology · 2019Article
- Interrogating metabolism as an electron flow system.Current opinion in systems biology · 2019Review
- Machine learning applied to enzyme turnover numbers reveals protein structural correlates and improves metabolic models.Nature communications · 2018Article
- Thermodynamic favorability and pathway yield as evolutionary tradeoffs in biosynthetic pathway choice.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
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Authors and funding
6 authors.
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Abstract
Reaction-equilibrium constants determine the metabolite concentrations necessary to drive flux through metabolic pathways. Group-contribution methods offer a way to estimate reaction-equilibrium constants at wide coverage across the metabolic network. Here, we present an updated group-contribution method with 1) additional curated thermodynamic data used in fitting and 2) capabilities to calculate equilibrium constants as a function of temperature. We first collected and curated aqueous thermodynamic data, including reaction-equilibrium constants, enthalpies of reaction, Gibbs free energies of formation, enthalpies of formation, entropy changes of formation of compounds, and proton- and metal-ion-binding constants. Next, we formulated the calculation of equilibrium constants as a function of temperature and calculated the standard entropy change of formation (Δ
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