(* 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 = { at[t], na[t], s1[t], s2[t], s3[t], s4[t], s5[t], s6[t], s6o[t] }; initialValues = { at[0] == 2.0, na[0] == 0.6, s1[0] == 1.0, s2[0] == 5.0, s3[0] == 0.6, s4[0] == 0.7, s5[0] == 8.0, s6[0] == 0.08, s6o[0] == 0.02 }; rates = { v\[LetterSpace]1, v\[LetterSpace]10, v\[LetterSpace]11, v\[LetterSpace]2, 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 -> k0, v\[LetterSpace]10 -> k9*s6o[t], v\[LetterSpace]11 -> k7*at[t], v\[LetterSpace]2 -> (k1*at[t]*s1[t])/(1 + (at[t]/ki)^n), v\[LetterSpace]3 -> k2*s2[t], v\[LetterSpace]4 -> k8*(ntot - na[t])*s3[t], v\[LetterSpace]5 -> (k31*k32*(atot - at[t])*na[t]*s3[t] - k33*k34*at[t]*(ntot - na[t])*s4[t])/(k32*(atot - at[t]) + k33*(ntot - na[t])), v\[LetterSpace]6 -> k4*(atot - at[t])*s4[t], v\[LetterSpace]7 -> k5*s5[t], v\[LetterSpace]8 -> k6*(ntot - na[t])*s6[t], v\[LetterSpace]9 -> k10*(s6[t] - s6o[t]) }; parameters = { atot -> 4.0, k0 -> 50.0, k1 -> 550.0, k10 -> 375.0, k2 -> 9.8, k31 -> 323.8, k32 -> 76411.1, k33 -> 57823.1, k34 -> 23.7, k4 -> 80.0, k5 -> 9.7, k6 -> 2000.0, k7 -> 28.0, k8 -> 85.7, k9 -> 80.0, ki -> 1.0, n -> 4.0, ntot -> 1.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { at[t]->"http://identifiers.org/pubchem.substance/3304", at[t]->"http://identifiers.org/kegg.compound/C00002", at[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15422", at[t]->"http://identifiers.org/3dmet/B01125", at[t]->"http://identifiers.org/cas/56-65-5", na[t]->"http://identifiers.org/pubchem.substance/3305", na[t]->"http://identifiers.org/kegg.compound/C00003", na[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15846", na[t]->"http://identifiers.org/3dmet/B01126", s1[t]->"http://identifiers.org/obo.chebi/CHEBI%3A22390", s1[t]->"http://identifiers.org/pubchem.substance/3565", s1[t]->"http://identifiers.org/kegg.compound/C00267", s1[t]->"http://identifiers.org/obo.chebi/CHEBI%3A17925", s1[t]->"http://identifiers.org/3dmet/B01203", s1[t]->"http://identifiers.org/cas/492-62-6", s2[t]->"http://identifiers.org/pubchem.substance/3647", s2[t]->"http://identifiers.org/kegg.compound/C00354", s2[t]->"http://identifiers.org/obo.chebi/CHEBI%3A16905", s2[t]->"http://identifiers.org/3dmet/B04673", s2[t]->"http://identifiers.org/cas/488-69-7", s4[t]->"http://identifiers.org/pubchem.substance/3497", s4[t]->"http://identifiers.org/kegg.compound/C00197", s4[t]->"http://identifiers.org/obo.chebi/CHEBI%3A17794", s4[t]->"http://identifiers.org/3dmet/B01185", s5[t]->"http://identifiers.org/pubchem.substance/3324", s5[t]->"http://identifiers.org/kegg.compound/C00022", s5[t]->"http://identifiers.org/obo.chebi/CHEBI%3A32816", s5[t]->"http://identifiers.org/3dmet/B00006", s5[t]->"http://identifiers.org/cas/127-17-3", s6[t]->"http://identifiers.org/pubchem.substance/3384", s6[t]->"http://identifiers.org/kegg.compound/C00084", s6[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15343", s6[t]->"http://identifiers.org/3dmet/B01155", s6[t]->"http://identifiers.org/cas/75-07-0", s6o[t]->"http://identifiers.org/pubchem.substance/3384", s6o[t]->"http://identifiers.org/kegg.compound/C00084", s6o[t]->"http://identifiers.org/obo.chebi/CHEBI%3A15343", s6o[t]->"http://identifiers.org/3dmet/B01155", s6o[t]->"http://identifiers.org/cas/75-07-0" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { at'[t] == 1.0*v\[LetterSpace]5 +1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]11 -2.0*v\[LetterSpace]2, na'[t] == 1.0*v\[LetterSpace]8 +1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]5, s1'[t] == 1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]2, s2'[t] == 1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]3, s3'[t] == 2.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]4, s4'[t] == 1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]6, s5'[t] == 1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]7, s6'[t] == 1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]9, s6o'[t] == 0.1*v\[LetterSpace]9 -1.0*v\[LetterSpace]10 }; 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]}]