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Physics-based mass action dynamics of central metabolism including regulation and thermodynamics

What is being modeled?
Central Metabolism of Neurospora crassa
Description & purpose of resource

This is a physics-based model of central metabolism of Neurospora crassa, a filamentous fungi, in which physiologically reasonable rate constants are inferred from data and physical principles. The model addresses mass action dynamics, regulation of metabolism, reaction free free energies, and the power generated at each reaction.  It lays the conceptual groundwork for developing more extensive models ("genome scale" models) that use full mass action dynamics and thermodynamics.

Spatial scales
Temporal scales
10-6 - 10-3 s
10-3 - 1 s
This resource is currently
a demonstration or a framework to be built upon (perhaps with a sample implementation)
Has this resource been validated?
How has the resource been validated?

The model incorporates experimental data into the inference and results in rate constants that are consistent with experimentally measured metabolite concentrations.

Can this resource be associated with other resources? (e.g.: modular models, linked tools and platforms)
Which resources?

This tool can be used with the eQuilibrator api ( or data from the web interface ( 

Key publications (e.g. describing or using resource)

Cannon, W.R., et al., Prediction of metabolite concentrations, rate constants and post-translational regulation using maximum entropy-based simulations with application to central metabolism of Neurospora crassa. Processes, 2018. 6(6).

Bill Cannon
PI contact information
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