What’s new …

in eQuilibrator 3.1?

A minor version: the thermodynamic data and the Gibbs energy estimates are the same as in 3.0. What changed is how the site looks and works, and what it can do.

  • A new, cleaner design, which also works on smartphones and tablets.

  • Gibbs energies update as you change pH, pMg, ionic strength or the concentrations – no more “Update” button.

  • Interactive plots of the Gibbs energy against pH, pMg and ionic strength.

  • Compound structures are drawn more clearly, in the form a chemist would expect.

  • A clearer button for reversing a reaction.

  • A warning when a reaction looks like it was meant as a half-reaction.

  • Combustion: the page of any compound that burns links to its complete oxidation by O2, with the energy it releases.

  • More compounds can be found by name, including some that have no KEGG identifier (e.g. ethane and 1,4-butanediol).

  • Pathway analysis:

    • The analysis now runs in your browser, and the results are interactive plots.

    • Building a model is about four times faster, shows its progress, and tells you beforehand how long it will take (models are limited to 100 reactions; for larger ones, use equilibrator-api).

    • Enzyme Cost Minimization models now come with estimates of the kinetic parameters (from ENKIE) and of the enzyme masses (from UniProt), instead of placeholder values; the same estimates can be downloaded as a table from the Downloads page.

    • The enzyme cost is reported in kDa.

  • Many bug fixes, and a faster, more robust server.

in eQuilibrator 3.0?

  • Control of Magnesium ion (pMg).

  • Concentrations can be given in nM, uM, mM or M.

  • Plots for pH, pMg, and I show in a popup window rather in a new tab.

  • More bug fixes.

  • Major updates to equilibrator-api including a ReadTheDocs page.

in eQuilibrator 2.2?

in eQuilibrator 2.1?

  • The uncertainty of each estimation is now provided. For example, when we write ΔrG’° = -32.1 ± 1.4 [kJ/mol], the 1.4 represents a 95% confidence interval around the estimated Gibbs energy. This change was facilitated by upgrading our software to the more precise Component Contribution method.

  • A dedicated page for reduction potentials (see for example Oxaloacetate reduction).

  • Gas, liquid and solid phase for the relevant compounds (e.g. you can use O2(g) and CO2(g) in glucose oxidation).

  • A fresh design and LOTS of usability upgrades.

  • Substantially faster search powered by Solr.

  • Thermodynamic analysis of metabolic pathways using Max-min Driving Force.

  • A new primer on studying classic metabolic reactions using eQuilibrator.