(* 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 = { asa[t], aspp[t], hs[t], hsp[t] }; initialValues = { asa[0] == 0.0, aspp[0] == 0.0, hs[0] == 0.0, hsp[0] == 0.0 }; rates = { v\[LetterSpace]1, v\[LetterSpace]2, v\[LetterSpace]3, v\[LetterSpace]4, v\[LetterSpace]5 }; rateEquations = { v\[LetterSpace]1 -> F1*((prot*vm11*(asp*atp - (adp*aspp[t])/keqak))/((atp + (1 + adp/k1adp)*k1atp)*(asp + (k11*(1 + (thr/k1thr)^nak1))/(1 + (thr/(alpha*k1thr))^nak1) + (k11*aspp[t])/k1aspp)) + (prot*vm13*(asp*atp - (adp*aspp[t])/keqak))/((atp + (1 + adp/k13adp)*k13atp)*(1 + (lys/k1lys)^nak3)*(asp + k13*(1 + aspp[t]/k13aspp)))), v\[LetterSpace]2 -> (prot*vm2f*(-((nadp*pi*asa[t])/k2eq) + nadph*aspp[t]))/((k2nadph*(1 + nadp/k2nadp) + nadph)*(k2aspp*(1 + pi/k2p)*(1 + asa[t]/k2asa) + aspp[t])), v\[LetterSpace]3 -> (prot*(1 + (thr/(alpha3*k3thr))^nhdh1)*vm3f*(nadph*asa[t] - (nadp*hs[t])/k3eq))/((1 + asp/k3asp)*(k3nadph*(1 + nadp/k3nadp) + nadph)*(1 + (thr/k3thr)^nhdh1)*(k3asa + asa[t] + (k3asa*hs[t])/k3hs)), v\[LetterSpace]4 -> (atp*prot*vm4f*hs[t])/((1 + lys/k4lys)*(k4hs*(1 + atp/k4iatp)*(1 + thr/k4thr) + hs[t])*(atp + k4atp*(1 + hs[t]/k4ihs))), v\[LetterSpace]5 -> (prot*vm5*hsp[t])/(k5hsp + hsp[t]) }; parameters = { F1 -> 1.0, alpha -> 2.47, alpha3 -> 3.93, k11 -> 0.97, k13 -> 0.323, k13adp -> 0.25, k13aspp -> 0.017, k13atp -> 0.225, k1adp -> 0.25, k1aspp -> 0.017, k1atp -> 0.98, k1lys -> 0.391, k1thr -> 0.167, k2asa -> 0.11, k2aspp -> 0.022, k2eq -> 56.4150334574039, k2nadp -> 0.144, k2nadph -> 0.0287, k2p -> 10.0, k3asa -> 0.245, k3asp -> 10.0, k3eq -> 3162.27766016838, k3hs -> 3.39, k3nadp -> 0.067, k3nadph -> 0.037, k3thr -> 0.094, k4atp -> 0.072, k4hs -> 0.11, k4iatp -> 4.35, k4ihs -> 4.7, k4lys -> 9.45, k4thr -> 1.09, k5hsp -> 0.307, keqak -> 0.000639, lys -> 0.46, nak1 -> 4.09, nak3 -> 2.78, nhdh1 -> 1.41, pH -> 7.5, prot -> 1.0, vm11 -> 0.68987, vm13 -> 0.33488, vm2f -> 0.920322, vm3f -> 3.6707, vm4f -> 0.54579, vm5 -> 0.2392, adp -> 0.17, asp -> 1.34, atp -> 1.31, nadp -> 0.63, nadph -> 0.56, pi -> 5.0, thr -> 3.49, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { asa'[t] == 1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]3, aspp'[t] == 1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]2, hs'[t] == 1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]4, hsp'[t] == 1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]5 }; 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]}]