Metabolic Control Analysis

controlAnalysis(ensemble, saveResMatrices, conditionI, strucIdx)

Do Metabolic Control Analysis for all models in the given ensemble and return the average flux and concentration control coefficients across the ensemble.

It can also return the control coefficient and elasticity matrices for each model in the ensemble if saveResMatrices is set to true. But keep in mind that for large models this can use a lot of RAM and CPU.

The implementation is based on

• Computational Models of Metabolism Stability and Regulation in Metabolic Networks, section 1.7.2 on Metabolic Control Analysis (https://doi.org/10.1002/9780470475935.ch3).

USAGE:

mcaResults = controlAnalysis(ensemble, saveResMatrices, strucIdx)

INPUT:

ensemble (struct): model ensemble, see buildEnsemble for fields description saveResMatrices (logical): whether or not to save the elasticity and control coefficient matrices for all models

OPTIONAL INPUT:

conditionI (int): condition for which the user wants for run MCA when having multiple coniditions, by

default MCA is run for all conditions

strucIdx (int): index of the model structure considered

OUTPUT:

mcaResults (struct): MCA results

• xControlAvg (cell) : average concentration control coefficient for the model ensemble

• vControlAvg (cell) : average flux control coefficient for the model ensemble

• xcounter (cell) : number of models in the average concentration control coefficient calculation

• vcounter (cell) : number of models in the average flux control coefficient calculation

• xControl (cell) : concentration control coefficient matrix for each model

• vControl (cell) : flux control coefficient matrix for each model

• E_x_nor (cell) : normalized elasticity matrix for each model