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Update ProtPool Calculation by Including usage_prot_ Reaction Fluxes
Description:
Issue:
The original implementation of topEnzymeUsage function calculates protPool by only considering the prot_pool_exchange flux. However, this does not reflect the total enzymatic capacity used by the metabolic reactions, especially when proteomics data is integrated into the model.
Enhancement:
The function has been enhanced to account for the fluxes of all usage_prot_ reactions, excluding the ones related to usage_prot_standard.
Changes:
-
Flux Calculation Integration: The function now includes a call to
solveLP(ecModel)to calculate the flux distribution within the model. -
Targeted Flux Summation: After obtaining the flux distribution, the function identifies all
usage_prot_reactions while filtering out any that includestandardin their reaction IDs. Since this reaction was embedded intoProtein_pool_exchange. -
Adjusted
protPoolDefinition: The protein pool (protPool) is redefined to be the sum of theprot_pool_exchangeflux and the total usage fluxes.