(* 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 = { ACA[t], ADP[t], AMP[t], ATP[t], BPG[t], EtOH[t], F6P[t], FBP[t], GAP[t], Glc[t], NAD[t], NADH[t], PEP[t], Pyr[t] }; initialValues = { ACA[0] == 0.0738334, ADP[0] == 0.108367, AMP[0] == 0.00261149, ATP[0] == 4.49064, BPG[0] == 0.299109, EtOH[0] == 0.339813, F6P[0] == 0.65939, FBP[0] == 0.00770135, GAP[0] == 0.00190919, Glc[0] == 0.0112817, NAD[0] == 3.62057, NADH[0] == 0.616118, PEP[0] == 0.00211259, Pyr[0] == 0.00422702 }; rates = { v\[LetterSpace]1, v\[LetterSpace]10, v\[LetterSpace]11, v\[LetterSpace]12, v\[LetterSpace]13, v\[LetterSpace]14, v\[LetterSpace]15, v\[LetterSpace]16, v\[LetterSpace]17, v\[LetterSpace]18, v\[LetterSpace]19, v\[LetterSpace]2, v\[LetterSpace]20, v\[LetterSpace]21, v\[LetterSpace]22, v\[LetterSpace]23, v\[LetterSpace]24, v\[LetterSpace]25, v\[LetterSpace]26, v\[LetterSpace]27, v\[LetterSpace]28, v\[LetterSpace]29, v\[LetterSpace]3, v\[LetterSpace]4, v\[LetterSpace]5, v\[LetterSpace]6, v\[LetterSpace]7, v\[LetterSpace]8, v\[LetterSpace]9 }; rateEquations = { v\[LetterSpace]1 -> Glco*k0, v\[LetterSpace]10 -> k0*EtOH[t], v\[LetterSpace]11 -> k0*ACA[t], v\[LetterSpace]12 -> k0*Pyr[t], v\[LetterSpace]13 -> k0*PEP[t], v\[LetterSpace]14 -> k0*BPG[t], v\[LetterSpace]15 -> k0*GAP[t], v\[LetterSpace]16 -> k0*FBP[t], v\[LetterSpace]17 -> k0*F6P[t], v\[LetterSpace]18 -> kf10*F6P[t], v\[LetterSpace]19 -> k0*Glc[t], v\[LetterSpace]2 -> (V1m*ATP[t]*Glc[t])/((K1ATP + ATP[t])*(K1Glc + Glc[t])), v\[LetterSpace]20 -> k0*NADo, v\[LetterSpace]21 -> k0*NAD[t], v\[LetterSpace]22 -> k0*NADHo, v\[LetterSpace]23 -> k0*NADH[t], v\[LetterSpace]24 -> ADPo*k0, v\[LetterSpace]25 -> k0*ADP[t], v\[LetterSpace]26 -> ATPo*k0, v\[LetterSpace]27 -> k0*ATP[t], v\[LetterSpace]28 -> k0*AMP[t], v\[LetterSpace]29 -> -(kr9*ADP[t]^2) + kf9*AMP[t]*ATP[t], v\[LetterSpace]3 -> (V2m*ATP[t]*F6P[t]^2)/((K2mATP + ATP[t])*(K2 + (K2*kappa2*ATP[t]^2)/AMP[t]^2 + F6P[t]^2)), v\[LetterSpace]4 -> k3f*FBP[t] - k3b*GAP[t]^2, v\[LetterSpace]5 -> (V4m*GAP[t]*NAD[t])/((K4G + GAP[t])*(K4N + NAD[t])), v\[LetterSpace]6 -> k5f*ADP[t]*BPG[t] - k5r*ATP[t]*PEP[t], v\[LetterSpace]7 -> (V6m*ADP[t]*PEP[t])/((K6ADP + ADP[t])*(K6PEP + PEP[t])), v\[LetterSpace]8 -> (V7m*Pyr[t])/(K7 + Pyr[t]), v\[LetterSpace]9 -> -(k8r*EtOH[t]*NAD[t]) + k8f*ACA[t]*NADH[t] }; parameters = { K1ATP -> 0.063, K1Glc -> 0.1, K2 -> 0.0016, K2mATP -> 0.01, K4G -> 1.0, K4N -> 1.0, K6ADP -> 0.3, K6PEP -> 0.2, K7 -> 0.3, V1m -> 0.5, V2m -> 1.5, V4m -> 10.0, V6m -> 10.0, V7m -> 2.0, k0 -> 0.011, k3b -> 50.0, k3f -> 1.0, k5f -> 1.0, k5r -> 0.5, k8f -> 1.0, k8r -> 0.000143, kappa2 -> 0.017, kf10 -> 0.05, kf9 -> 10.0, kr9 -> 10.0, ADPo -> 1.1, ATPo -> 3.5, Glco -> 50.0, NADHo -> 0.24, NADo -> 4.0, P -> 0.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { ACA[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15343", ACA[t]->"http://identifiers.org/kegg.compound/C00084", ADP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16761", ADP[t]->"http://identifiers.org/kegg.compound/C00008", ADPo[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16761", ADPo[t]->"http://identifiers.org/kegg.compound/C00008", AMP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16027", AMP[t]->"http://identifiers.org/kegg.compound/C00020", ATP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15422", ATP[t]->"http://identifiers.org/kegg.compound/C00002", ATPo[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15422", ATPo[t]->"http://identifiers.org/kegg.compound/C00002", BPG[t]->"http://identifiers.org/obo.chebi/CHEBI%3A19324", EtOH[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16236", EtOH[t]->"http://identifiers.org/kegg.compound/C00469", F6P[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15946", F6P[t]->"http://identifiers.org/kegg.compound/C00085", FBP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16905", FBP[t]->"http://identifiers.org/kegg.compound/C00354", GAP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A29052", GAP[t]->"http://identifiers.org/kegg.compound/C00118", Glc[t]->"http://identifiers.org/kegg.compound/C00293", Glc[t]->"http://identifiers.org/obo.chebi/CHEBI%3A17234", NADH[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16908", NADH[t]->"http://identifiers.org/kegg.compound/C00004", NADHo[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16908", NADHo[t]->"http://identifiers.org/kegg.compound/C00004", NADo[t]->"http://identifiers.org/obo.chebi/CHEBI%3A13389", PEP[t]->"http://identifiers.org/obo.chebi/CHEBI%3A44897", PEP[t]->"http://identifiers.org/kegg.compound/C00074", Pyr[t]->"http://identifiers.org/obo.chebi/CHEBI%3A32816", Pyr[t]->"http://identifiers.org/kegg.compound/C00022" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ACA'[t] == 1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]9, ADP'[t] == 1.0*v\[LetterSpace]2 +2.0*v\[LetterSpace]29 +1.0*v\[LetterSpace]24 +1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]25 -1.0*v\[LetterSpace]6, AMP'[t] == -1.0*v\[LetterSpace]29 -1.0*v\[LetterSpace]28, ATP'[t] == 1.0*v\[LetterSpace]26 +1.0*v\[LetterSpace]7 +1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]29 -1.0*v\[LetterSpace]27 -1.0*v\[LetterSpace]3, BPG'[t] == 1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]14, EtOH'[t] == 1.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]10, F6P'[t] == 1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]18 -1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]17, FBP'[t] == 1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]16 -1.0*v\[LetterSpace]4, GAP'[t] == 2.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]5, Glc'[t] == 1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]19, NAD'[t] == 1.0*v\[LetterSpace]20 +1.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]21 -1.0*v\[LetterSpace]5, NADH'[t] == 1.0*v\[LetterSpace]22 +1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]23 -1.0*v\[LetterSpace]9, PEP'[t] == 1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]13 -1.0*v\[LetterSpace]7, Pyr'[t] == 1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]12 }; 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]}]