(* Generated by JWS Online *) (* This is an experimental feature of JWS Online. Please report any mistakes.*) (* Note that the following notable SBML entities or features are not supported in notebook outputyet: *) (* Events *) (* Constraints *) (* Units and UnitDefinitions *) (* AlgebraicRules *) (* conversionFactors *) variables = { ADP[t], ATP[t], BPG[t], P3G[t], pep[t], pyr[t] }; initialValues = { ADP[0] == 0.0, ATP[0] == 10.0, BPG[0] == 0.0, P3G[0] == 4.0, pep[0] == 5.0, pyr[0] == 0.0 }; rates = { v1, v2 }; rateEquations = { v1 -> -((VmPGK*(KeqPGK*ADP[t]*BPG[t] - ATP[t]*P3G[t]))/(KmPGKATP*KmPGKP3G*(1 + ADP[t]/KmPGKADP + ATP[t]/KmPGKATP)*(1 + BPG[t]/KmPGKBPG + P3G[t]/KmPGKP3G))), v2 -> kPK*ADP[t]*pep[t] }; parameters = { KeqPGK -> 3200.0, KmPGKADP -> 0.2, KmPGKATP -> 0.3, KmPGKBPG -> 0.003, KmPGKP3G -> 0.53, VmPGK -> 4.61, kPK -> 50.0, default -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { ADP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16761", ADP[t]->"http://identifiers.org/kegg.compound/C00008", ATP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15422", ATP[t]->"http://identifiers.org/kegg.compound/C00002", BPG[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16001", BPG[t]->"http://identifiers.org/kegg.compound/C00236" }; reactionAnnotations = { v1->"http://identifiers.org/ec-code/2.7.2.3", v2->"http://identifiers.org/ec-code/2.7.1.40" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADP'[t] == 1.0*v1 -1.0*v2, ATP'[t] == 1.0*v2 -1.0*v1, BPG'[t] == 1.0*v1 , P3G'[t] == -1.0*v1, pep'[t] == -1.0*v2, pyr'[t] == 1.0*v2 }; timeCourse = NDSolve[Join[odes, initialValues]//.rateEquations//.assignments//.parameters, variables, {t, 0, 100}]; (* Steady-state solution initialized with result of time evolution *) findRootEquations = odes /.D[_[t],t]->0; findRootVariables = Partition[Flatten[{#, #/.timeCourse/.t->100} &/@variables],2]; steadyStateVariables = FindRoot[findRootEquations//.rateEquations//.assignments//.parameters, findRootVariables, MaxIterations->100] fluxes = #//.assignments//.parameters/.steadyStateVariables&/@rateEquations (* Plot the time evolution of the variables *) plotTable=Table[Plot[variables[[i]]/.parameters/.timeCourse,{t,0,100},PlotLegends->variables[[i]],PlotRange->Full],{i,Length[variables]}]