eQuilibrator

eQuilibrator computes biochemical thermodynamic properties and Gibbs energies for compounds and reactions to support quantitative analysis of metabolic and enzymatic systems.

Key Features:

• Comprehensive Database: Provides an extensive collection of thermodynamic properties for biochemical compounds and reactions used as the basis for calculations.
• Gibbs Energy Calculations: Computes standard and condition-dependent Gibbs energies for compounds and reactions.
• Condition-Specific Inputs: Allows calculations under specified pH, ionic strength, and metabolite concentration conditions.
• Open-Source Code: Source code is openly available for inspection and modification.
• Data Export: Thermodynamic source data are provided for download in standard formats.

Scientific Applications:

• Metabolic Engineering: Enables evaluation of reaction thermodynamics to identify feasible pathways and design metabolic changes.
• Enzyme Kinetics and Mechanism Analysis: Supports estimation of driving forces and thermodynamic constraints relevant to enzymatic reactions.
• Systems Biology and Network Analysis: Facilitates incorporation of thermodynamic constraints into metabolic network models.
• Thermodynamic Estimation Examples: Can be used to determine Gibbs energy changes for specific reactions such as ATP hydrolysis under defined conditions (e.g., at pH 5).

Methodology:

Calculations retrieve thermodynamic properties from an integrated database and compute Gibbs energies for compounds and reactions under specified pH, ionic strength, and metabolite concentration conditions.