(* 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 = { KDX[t], KGSA[t], XA[t], XLAC[t] }; initialValues = { KDX[0] == 0.0, KGSA[0] == 0.0, XA[0] == 0.0, XLAC[0] == 0.0 }; rates = { v1, v2, v3, v4, v5, v6 }; rateEquations = { v1 -> (Eb*NAD*VmXDH*XYL)/(1000*KmXDHNAD*KmXDHXYL*(1 + NAD/KmXDHNAD + (-NAD + Ntot)/KmXDHNADH)*(1 + XYL/KmXDHXYL + XLAC[t]/KmXDHXLAC)), v2 -> kXLA*XLAC[t], v3 -> (Ec*VmXLA*XLAC[t])/(1000*KmXLAXLAC*(1 + XA[t]/KmXLAXA + XLAC[t]/KmXLAXLAC)), v4 -> (Ed*VmXAD*XA[t])/(1000*KmXADXA*(1 + (-NAD + Ntot)/KiXADNADH)*(1 + KDX[t]/KmXADKDX + XA[t]/KmXADXA)), v5 -> (Ex*fracX*VmKDXD*KDX[t])/(1000*KmKDXDKDX*(1 + KDX[t]/KmKDXDKDX + KGSA[t]/KmKDXDKGSA)*(1 + KG/KiKDXDakg + LAC/KiKDXDLAC + PYR/KiKDXDPYR + XA[t]/KiKDXDxylonate)), v6 -> (Ea*NAD*VmKGSADH*KGSA[t])/(1000*KmKGSADHKGSA*KmKGSADHNAD*(((1 + NAD/KmKGSADHNAD + (-NAD + Ntot)/KmKGSADHNADH2)*KDX[t])/KmKGSADHKDX + (1 + NAD/KmKGSADHNAD + (-NAD + Ntot)/KmKGSADHNADH)*(1 + KG/KmKGSADHKG + KGSA[t]/KmKGSADHKGSA))) }; parameters = { Ea -> 5.07346020797495, Eb -> 2.60356124590009, Ec -> 1.74880575432743, Ed -> 0.607493470484582, Ex -> 3.66285261519962, KiKDXDLAC -> 27.9762, KiKDXDPYR -> 17.9168, KiKDXDakg -> 14.7919, KiKDXDxylonate -> 18.3001, KiXADNADH -> 10.4629, KmKDXDKDX -> 0.207656, KmKDXDKGSA -> 0.288658, KmKGSADHKDX -> 0.2136, KmKGSADHKG -> 0.279059, KmKGSADHKGSA -> 0.0217501, KmKGSADHNAD -> 0.596286, KmKGSADHNADH -> 0.2674, KmKGSADHNADH2 -> 0.0241, KmXADKDX -> 0.862428, KmXADXA -> 0.793955, KmXDHNAD -> 0.161239, KmXDHNADH -> 0.0297091, KmXDHXLAC -> 0.535734, KmXDHXYL -> 0.19851, KmXLAXA -> 0.0381004, KmXLAXLAC -> 0.445269, Ntot -> 8.0, VmKDXD -> 107.075, VmKGSADH -> 49.3374, VmXAD -> 42.359, VmXDH -> 119.743, VmXLA -> 944.406, fracX -> 0.251104, kLDH -> 10.0, kXLA -> 0.00718272, KG -> 0.0, LAC -> 1.0, NAD -> 1.0, PYR -> 1.0, XYL -> 5.0, default -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { KDX[t]->"http://identifiers.org/kegg.compound/C03826", KDX[t]->"http://identifiers.org/obo.chebi/CHEBI%3A1060", KG[t]->"http://identifiers.org/obo.chebi/CHEBI%3A30915", KG[t]->"http://identifiers.org/kegg.compound/C00026", KGSA[t]->"http://identifiers.org/obo.chebi/CHEBI%3A17415", KGSA[t]->"http://identifiers.org/kegg.compound/C00433", LAC[t]->"http://identifiers.org/kegg.compound/C01432", LAC[t]->"http://identifiers.org/obo.chebi/CHEBI%3A28358", NAD[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15846", NAD[t]->"http://identifiers.org/kegg.compound/C00003", PYR[t]->"http://identifiers.org/kegg.compound/C00022", PYR[t]->"http://identifiers.org/obo.chebi/CHEBI%3A32816", XA[t]->"http://identifiers.org/kegg.compound/C00502", XA[t]->"http://identifiers.org/obo.chebi/CHEBI%3A48093", XLAC[t]->"http://identifiers.org/kegg.compound/C02266", XLAC[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15867", XYL[t]->"http://identifiers.org/kegg.compound/C00181", XYL[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15936" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { KDX'[t] == 1.0*v4 -1.0*v5, KGSA'[t] == 1.0*v5 -1.0*v6, XA'[t] == 1.0*v2 +1.0*v3 -1.0*v4, XLAC'[t] == 1.0*v1 -1.0*v2 -1.0*v3 }; 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]}]