(* 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 = { X[t], Y[t], Z[t] }; initialValues = { X[0] == 0.1, Y[0] == 1.5, Z[0] == 0.1 }; rates = { R1, R2, R3, R4, R5, R6, R7 }; rateEquations = { R1 -> compartment*vin, R2 -> compartment*kout*X[t], R3 -> (4*ER*k\[LetterSpace]CaA^n*vM3*X[t]^n*(-X[t] + Y[t])*Z[t]^m)/((k\[LetterSpace]CaA^n + X[t]^n)*(k\[LetterSpace]CaI^n + X[t]^n)*(kip3^m + Z[t]^m)), R4 -> (compartment*vM2*X[t]^2)/(k2^2 + X[t]^2), R5 -> ER*kf*(-X[t] + Y[t]), R6 -> (compartment*vp*X[t]^2)/(kp^2 + X[t]^2), R7 -> compartment*kdeg*Z[t] }; parameters = { k2 -> 0.1, k\[LetterSpace]CaA -> 0.15, k\[LetterSpace]CaI -> 0.15, kdeg -> 0.08, kf -> 0.5, kip3 -> 0.1, kout -> 0.5, kp -> 0.3, m -> 2.2, n -> 2.02, vM2 -> 15.0, vM3 -> 40.0, vin -> 0.05, vp -> 0.05, ER -> 1.0, compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { X[t]->"http://identifiers.org/obo.chebi/CHEBI:29108", X[t]->"http://identifiers.org/kegg.compound/C00076", Y[t]->"http://identifiers.org/obo.chebi/CHEBI:29108", Y[t]->"http://identifiers.org/kegg.compound/C00076", Z[t]->"http://identifiers.org/obo.chebi/CHEBI:16595", Z[t]->"http://identifiers.org/kegg.compound/C01245" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { X'[t] == 1.0*R1 +1.0*R3 +1.0*R5 -1.0*R2 -1.0*R4, Y'[t] == 1.0*R4 -1.0*R3 -1.0*R5, Z'[t] == 1.0*R6 -1.0*R7 }; 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]}]