(* 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 = { ADPch[t], ATPch[t], BPGAch[t], DHAPch[t], E4Pch[t], F6Pch[t], FBPch[t], G1Pch[t], G6Pch[t], GAPch[t], PGAch[t], Pich[t], R5Pch[t], Ru5Pch[t], RuBPch[t], S7Pch[t], SBPch[t], X5Pch[t] }; initialValues = { ADPch[0] == 0.00149, ATPch[0] == 0.49806, BPGAch[0] == 0.14825, DHAPch[0] == 0.29345, E4Pch[0] == 0.41021, F6Pch[0] == 1.36481, FBPch[0] == 0.02776, G1Pch[0] == 0.18206, G6Pch[0] == 3.1396, GAPch[0] == 0.01334, PGAch[0] == 3.35479, Pich[0] == 1.5662, R5Pch[0] == 0.00599, Ru5Pch[0] == 0.00235, RuBPch[0] == 0.33644, S7Pch[0] == 0.00541, SBPch[0] == 1.56486, X5Pch[0] == 0.00363 }; 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]3, v\[LetterSpace]4, v\[LetterSpace]5, v\[LetterSpace]6, v\[LetterSpace]7, v\[LetterSpace]8, v\[LetterSpace]9 }; rateEquations = { v\[LetterSpace]1 -> (Vstsynch*ATPch[t]*G1Pch[t])/(stsynchka2*F6Pch[t] + stsynchka3*FBPch[t] + (1 + ADPch[t]/stsynchKi)*(stsynchkm2 + ATPch[t])*(stsynchkm1 + G1Pch[t]) + (stsynchkm2*Pich[t])/(stsynchka1*PGAch[t])), v\[LetterSpace]10 -> (SBPasechvm*SBPch[t])/(SBPasechkm*(1 + Pich[t]/SBPasechKiPi) + SBPch[t]), v\[LetterSpace]11 -> EQMult*(GAPch[t]*S7Pch[t] - (R5Pch[t]*X5Pch[t])/q10), v\[LetterSpace]12 -> EQMult*(-(Ru5Pch[t]/q12) + X5Pch[t]), v\[LetterSpace]13 -> EQMult*(R5Pch[t] - Ru5Pch[t]/q11), v\[LetterSpace]14 -> (Ru5Pkchvm*ATPch[t]*Ru5Pch[t])/((Ru5Pkchkm2*(1 + ADPch[t]/Ru5PkchKiADP2) + (1 + ADPch[t]/Ru5PkchKiADP1)*ATPch[t])*(Ru5Pch[t] + Ru5Pkchkm1*(1 + PGAch[t]/Ru5PkchKiPGA + Pich[t]/Ru5PkchKiPi + RuBPch[t]/Ru5PkchKiRuBP))), v\[LetterSpace]15 -> (Rbcovm*RuBPch[t])/(RuBPch[t] + Rbcokm*(1 + xNADPHch/RbcoKiNADPH + FBPch[t]/RbcoKiFBP + PGAch[t]/RbcoKiPGA + Pich[t]/RbcoKiPi + SBPch[t]/RbcoKiSBP)), v\[LetterSpace]16 -> EQMult*(-((ADPch[t]*BPGAch[t])/q2) + ATPch[t]*PGAch[t]), v\[LetterSpace]17 -> EQMult*(xNADPHch*xProtonch*BPGAch[t] - (xNADPch*GAPch[t]*Pich[t])/q3), v\[LetterSpace]18 -> (TPPiapvm*GAPch[t])/(TPPiapkGAPch*(1 + (1 + TPPiapkPicyt/xPicyt)*(DHAPch[t]/TPPiapkDHAPch + GAPch[t]/TPPiapkGAPch + PGAch[t]/TPPiapkPGAch + Pich[t]/TPPiapkPich))), v\[LetterSpace]19 -> (PGAxpMult*TPPiapvm*PGAch[t])/(TPPiapkPGAch*(1 + (1 + TPPiapkPicyt/xPicyt)*(DHAPch[t]/TPPiapkDHAPch + GAPch[t]/TPPiapkGAPch + PGAch[t]/TPPiapkPGAch + Pich[t]/TPPiapkPich))), v\[LetterSpace]2 -> (StPaseVm*Pich[t])/(StPasekm*(1 + G1Pch[t]/StPasekiG1P) + Pich[t]), v\[LetterSpace]20 -> (TPPiapvm*DHAPch[t])/(TPPiapkDHAPch*(1 + (1 + TPPiapkPicyt/xPicyt)*(DHAPch[t]/TPPiapkDHAPch + GAPch[t]/TPPiapkGAPch + PGAch[t]/TPPiapkPGAch + Pich[t]/TPPiapkPich))), v\[LetterSpace]21 -> (LRvm*ADPch[t]*Pich[t])/((LRkmADP + ADPch[t])*(LRkmPi + Pich[t])), v\[LetterSpace]3 -> EQMult*(-(G1Pch[t]/q15) + G6Pch[t]), v\[LetterSpace]4 -> EQMult*(F6Pch[t] - G6Pch[t]/q14), v\[LetterSpace]5 -> (FBPasechvm*FBPch[t])/(FBPch[t] + FBPasechkm*(1 + F6Pch[t]/FBPasechKiF6P + Pich[t]/FBPasechKiPi)), v\[LetterSpace]6 -> EQMult*(-(FBPch[t]/q5) + DHAPch[t]*GAPch[t]), v\[LetterSpace]7 -> EQMult*(-(DHAPch[t]/q4) + GAPch[t]), v\[LetterSpace]8 -> EQMult*(F6Pch[t]*GAPch[t] - (E4Pch[t]*X5Pch[t])/q7), v\[LetterSpace]9 -> EQMult*(DHAPch[t]*E4Pch[t] - SBPch[t]/q8) }; parameters = { EQMult -> 900000000.0, FBPasechKiF6P -> 0.7, FBPasechKiPi -> 12.0, FBPasechkm -> 0.03, FBPasechvm -> 200.0, LRkmADP -> 0.014, LRkmPi -> 0.3, LRvm -> 3500.0, PGAxpMult -> 0.5, RbcoKiFBP -> 0.04, RbcoKiNADPH -> 0.07, RbcoKiPGA -> 0.84, RbcoKiPi -> 0.9, RbcoKiSBP -> 0.075, Rbcokm -> 0.02, Rbcovm -> 340.0, Ru5PkchKiADP1 -> 2.5, Ru5PkchKiADP2 -> 0.4, Ru5PkchKiPGA -> 2.0, Ru5PkchKiPi -> 4.0, Ru5PkchKiRuBP -> 0.7, Ru5Pkchkm1 -> 0.05, Ru5Pkchkm2 -> 0.05, Ru5Pkchvm -> 10000.0, SBPasechKiPi -> 12.0, SBPasechkm -> 0.013, SBPasechvm -> 40.0, StPaseVm -> 40.0, StPasekiG1P -> 0.05, StPasekm -> 0.1, TPPiapkDHAPch -> 0.077, TPPiapkGAPch -> 0.075, TPPiapkPGAch -> 0.25, TPPiapkPich -> 0.63, TPPiapkPicyt -> 0.74, TPPiapvm -> 250.0, Vstsynch -> 40.0, q10 -> 0.85, q11 -> 0.4, q12 -> 0.67, q14 -> 2.3, q15 -> 0.058, q2 -> 0.00031, q3 -> 16000000.0, q4 -> 22.0, q5 -> 7.1, q7 -> 0.084, q8 -> 13.0, stsynchKi -> 10.0, stsynchka1 -> 0.1, stsynchka2 -> 0.02, stsynchka3 -> 0.02, stsynchkm1 -> 0.08, stsynchkm2 -> 0.08, xCO2 -> 1.0, xDHAPcyt -> 1.0, xGAPcyt -> 1.0, xNADPHch -> 0.21, xNADPch -> 0.29, xPGAcyt -> 1.0, xPicyt -> 0.25, xProtonch -> 2.512*^-05, xStarchch -> 1.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADPch'[t] == 1.0*v\[LetterSpace]16 +1.0*v\[LetterSpace]14 +1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]21, ATPch'[t] == 1.0*v\[LetterSpace]21 -1.0*v\[LetterSpace]16 -1.0*v\[LetterSpace]14 -1.0*v\[LetterSpace]1, BPGAch'[t] == 1.0*v\[LetterSpace]16 -1.0*v\[LetterSpace]17, DHAPch'[t] == 1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]20, E4Pch'[t] == 1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]9, F6Pch'[t] == 1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]4, FBPch'[t] == 1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]5, G1Pch'[t] == 1.0*v\[LetterSpace]2 +1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]1, G6Pch'[t] == 1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]3, GAPch'[t] == 1.0*v\[LetterSpace]17 -1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]18 -1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]8, PGAch'[t] == 2.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]16 -1.0*v\[LetterSpace]19, Pich'[t] == 1.0*v\[LetterSpace]19 +1.0*v\[LetterSpace]17 +1.0*v\[LetterSpace]10 +1.0*v\[LetterSpace]18 +1.0*v\[LetterSpace]20 +2.0*v\[LetterSpace]1 +1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]21 -1.0*v\[LetterSpace]2, R5Pch'[t] == 1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]13, Ru5Pch'[t] == 1.0*v\[LetterSpace]13 +1.0*v\[LetterSpace]12 -1.0*v\[LetterSpace]14, RuBPch'[t] == 1.0*v\[LetterSpace]14 -1.0*v\[LetterSpace]15, S7Pch'[t] == 1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]11, SBPch'[t] == 1.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]10, X5Pch'[t] == 1.0*v\[LetterSpace]11 +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]}]