Systematic assignment of thermodynamic constraints

General concept

Thermodynamic data, network topology, and heuristics are used to disable thermodynamically infeasible cycles. This approach assigns reaction directionality. Gibbs energy of formation for metabolites is used to assign directionality to reactions when possible. Reaction subsets are then found that combine low energy substrates into a high energy products. Reaction directionality is then set to disable these thermodynamically-infeasible processes based on thermodynamically-derived heuristic rules.

Items to consider when implementing

Software packages with this method

Applications of interest

Description of study and link to study:

What was learned with this method:

Relevant references

Kummel, et al.

Related methods