(* 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 = { ADPc[t], ADPg[t], AMPc[t], AMPg[t], ATPc[t], ATPg[t], BPGA13g[t], DHAPc[t], DHAPg[t], Fru16BPg[t], Fru6Pg[t], GA3Pc[t], GA3Pg[t], Glc6Pg[t], Glcc[t], Glcg[t], Gly3Pc[t], Gly3Pg[t], Glyc[t], Glyg[t], NADHg[t], NADg[t], PEPc[t], PGA2c[t], PGA3c[t], PGA3g[t], Pyrc[t] }; initialValues = { ADPc[0] == 1.0, ADPg[0] == 1.0, AMPc[0] == 0.1, AMPg[0] == 0.1, ATPc[0] == 4.9, ATPg[0] == 4.9, BPGA13g[0] == 0.4, DHAPc[0] == 4.6, DHAPg[0] == 4.6, Fru16BPg[0] == 13.0, Fru6Pg[0] == 0.2, GA3Pc[0] == 0.01, GA3Pg[0] == 0.14, Glc6Pg[0] == 0.8, Glcc[0] == 0.01, Glcg[0] == 0.01, Gly3Pc[0] == 1.5, Gly3Pg[0] == 1.5, Glyc[0] == 1*^-06, Glyg[0] == 1*^-06, NADHg[0] == 0.1, NADg[0] == 3.9, PEPc[0] == 1.4, PGA2c[0] == 0.5, PGA3c[0] == 17.0, PGA3g[0] == 17.0, Pyrc[0] == 14.0 }; rates = { AKc, AKg, ALDg, ATPuc, DHAPtg, ENOc, G3PDHg, GA3Ptg, GAPDHg, GKg, GPOc, GlcTc, GlcTg, Gly3Ptg, GlyTc, Glytg, HXKg, PFKg, PGA3Tg, PGAMc, PGIg, PGKg, PYKc, PyrTc, TPIg }; rateEquations = { AKc -> (AKcAKck1*ADPc[t]^2 - AKcAKck2*AMPc[t]*ATPc[t])/cytosol, AKg -> (AKgAKgk1*ADPg[t]^2 - AKgAKgk2*AMPg[t]*ATPg[t])/cytosol, ALDg -> (ALDgALDgVmax*Fru16BPg[t]*(1 - (DHAPg[t]*GA3Pg[t])/(ALDgALDgKeq*Fru16BPg[t])))/(ALDgALDgKmFru16BP*cytosol*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)*(1 + DHAPg[t]/ALDgALDgKmDHAP + Fru16BPg[t]/(ALDgALDgKmFru16BP*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)) + GA3Pg[t]/ALDgALDgKmGA3P + (DHAPg[t]*GA3Pg[t])/(ALDgALDgKmDHAP*ALDgALDgKmGA3P) + (Fru16BPg[t]*GA3Pg[t])/(ALDgALDgKiGA3P*ALDgALDgKmFru16BP*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)))), ATPuc -> (ATPucATPuck*ATPc[t])/(cytosol*ADPc[t]), DHAPtg -> (DHAPtgDHAPtgk*(DHAPc[t] - DHAPg[t]))/cytosol, ENOc -> (ENOcENOcVmax*(1 - PEPc[t]/(ENOcENOcKeq*PGA2c[t]))*PGA2c[t])/(cytosol*ENOcENOcKmPGA2*(1 + PEPc[t]/ENOcENOcKmPEP + PGA2c[t]/ENOcENOcKmPGA2)), G3PDHg -> (G3PDHgG3PDHgVmax*DHAPg[t]*(1 - (Gly3Pg[t]*NADg[t])/(G3PDHgG3PDHgKeq*DHAPg[t]*NADHg[t]))*NADHg[t])/(cytosol*G3PDHgG3PDHgKmDHAP*G3PDHgG3PDHgKmNADH*(1 + DHAPg[t]/G3PDHgG3PDHgKmDHAP + Gly3Pg[t]/G3PDHgG3PDHgKmGly3P)*(1 + NADg[t]/G3PDHgG3PDHgKmNAD + NADHg[t]/G3PDHgG3PDHgKmNADH)), GA3Ptg -> (GA3PtgGA3Ptgk*(-GA3Pc[t] + GA3Pg[t]))/cytosol, GAPDHg -> (GAPDHgGAPDHgVmax*GA3Pg[t]*NADg[t]*(1 - (BPGA13g[t]*NADHg[t])/(GAPDHgGAPDHgKeq*GA3Pg[t]*NADg[t])))/(cytosol*GAPDHgGAPDHgKmGA3P*GAPDHgGAPDHgKmNAD*(1 + BPGA13g[t]/GAPDHgGAPDHgKmBPGA13 + GA3Pg[t]/GAPDHgGAPDHgKmGA3P)*(1 + NADg[t]/GAPDHgGAPDHgKmNAD + NADHg[t]/GAPDHgGAPDHgKmNADH)), GKg -> (GKgGKgVmax*ADPg[t]*Gly3Pg[t]*(1 - (ATPg[t]*Glyg[t])/(GKgGKgKeq*ADPg[t]*Gly3Pg[t])))/(cytosol*GKgGKgKmADP*GKgGKgKmGly3P*(1 + ADPg[t]/GKgGKgKmADP + ATPg[t]/GKgGKgKmATP)*(1 + Gly3Pg[t]/GKgGKgKmGly3P + Glyg[t]/GKgGKgKmGly)), GPOc -> (GPOcGPOcVmax*Gly3Pc[t])/(cytosol*GPOcGPOcKmGly3P*(1 + ((1 + SHAM/GPOcGPOcKiSHAM)*Gly3Pc[t])/GPOcGPOcKmGly3P)), GlcTc -> (GlcTcGlcTcVmax*(Glce - Glcc[t]))/(cytosol*(Glce + GlcTcGlcTcKmGlc + Glcc[t] + (Glce*GlcTcGlcTcalpha*Glcc[t])/GlcTcGlcTcKmGlc)), GlcTg -> (GlcTgGlcTgk*Glcc[t] - GlcTgGlcTgk*Glcg[t])/cytosol, Gly3Ptg -> (Gly3PtgGly3Ptgk*(-Gly3Pc[t] + Gly3Pg[t]))/cytosol, GlyTc -> (GlyTcGlyTck*(-Glye + Glyc[t]) + (GlyTcGlyTcVrmax*GlyTcGlyTcy*(-Glye + Glyc[t]))/(Glye*GlyTcGlyTcy + GlyTcGlyTcKmGlye*GlyTcGlyTcy + Glyc[t] + (Glye*GlyTcGlyTcx*(1 - GlyTcGlyTcx + GlyTcGlyTcy)*Glyc[t])/(GlyTcGlyTcKmGlye*GlyTcGlyTcy)))/cytosol, Glytg -> (GlytgGlytgk*(-Glyc[t] + Glyg[t]))/cytosol, HXKg -> (HXKgHXKgVmax*ATPg[t]*(1 - (ADPg[t]*Glc6Pg[t])/(HXKgHXKgKeq*ATPg[t]*Glcg[t]))*Glcg[t])/(cytosol*HXKgHXKgKmATP*HXKgHXKgKmGlc*(1 + ADPg[t]/HXKgHXKgKmADP + ATPg[t]/HXKgHXKgKmATP)*(1 + Glc6Pg[t]/HXKgHXKgKmGlc6P + Glcg[t]/HXKgHXKgKmGlc)), PFKg -> (PFKgPFKgKi1*PFKgPFKgVmax*ATPg[t]*(1 - (ADPg[t]*Fru16BPg[t])/(PFKgPFKgKeq*ATPg[t]*Fru6Pg[t]))*Fru6Pg[t])/(cytosol*PFKgPFKgKmATP*PFKgPFKgKmFru6P*(PFKgPFKgKi1 + Fru16BPg[t])*(PFKgPFKgKsATP/PFKgPFKgKmATP + ADPg[t]/PFKgPFKgKmADP + ATPg[t]/PFKgPFKgKmATP + (ADPg[t]*Fru16BPg[t])/(PFKgPFKgKi2*PFKgPFKgKmADP) + Fru6Pg[t]/PFKgPFKgKmFru6P + (ATPg[t]*Fru6Pg[t])/(PFKgPFKgKmATP*PFKgPFKgKmFru6P))), PGA3Tg -> (-(PGA3TgPGA3Tgk*PGA3c[t]) + PGA3TgPGA3Tgk*PGA3g[t])/cytosol, PGAMc -> (PGAMcPGAMcVmax*(1 - PGA2c[t]/(PGAMcPGAMcKeq*PGA3c[t]))*PGA3c[t])/(cytosol*PGAMcPGAMcKmPGA3*(1 + PGA2c[t]/PGAMcPGAMcKmPGA2 + PGA3c[t]/PGAMcPGAMcKmPGA3)), PGIg -> (PGIgPGIgVmax*(1 - Fru6Pg[t]/(PGIgPGIgKeq*Glc6Pg[t]))*Glc6Pg[t])/(cytosol*PGIgPGIgKmGlc6P*(1 + Fru6Pg[t]/PGIgPGIgKmFru6P + Glc6Pg[t]/PGIgPGIgKmGlc6P)), PGKg -> (PGKgPGKgVmax*ADPg[t]*BPGA13g[t]*(1 - (ATPg[t]*PGA3g[t])/(PGKgPGKgKeq*ADPg[t]*BPGA13g[t])))/(cytosol*PGKgPGKgKmADP*PGKgPGKgKmBPGA13*(1 + ADPg[t]/PGKgPGKgKmADP + ATPg[t]/PGKgPGKgKmATP)*(1 + BPGA13g[t]/PGKgPGKgKmBPGA13 + PGA3g[t]/PGKgPGKgKmPGA3)), PYKc -> (PYKcPYKcVmax*ADPc[t]*(PEPc[t]/(PYKcPYKcKmPEP*(1 + ADPc[t]/PYKcPYKcKiADP + ATPc[t]/PYKcPYKcKiATP)))^PYKcPYKcn*(1 - (ATPc[t]*Pyrc[t])/(PYKcPYKcKeq*ADPc[t]*PEPc[t])))/(cytosol*PYKcPYKcKmADP*(1 + ADPc[t]/PYKcPYKcKmADP + ATPc[t]/PYKcPYKcKmATP)*(1 + (PEPc[t]/(PYKcPYKcKmPEP*(1 + ADPc[t]/PYKcPYKcKiADP + ATPc[t]/PYKcPYKcKiATP)))^PYKcPYKcn + Pyrc[t]/PYKcPYKcKmPyr)), PyrTc -> (PyrTcPyrTcVmax*Pyrc[t])/(cytosol*PyrTcPyrTcKmPyr*(1 + Pyrc[t]/PyrTcPyrTcKmPyr)), TPIg -> (TPIgTPIgVmax*DHAPg[t]*(1 - GA3Pg[t]/(TPIgTPIgKeq*DHAPg[t])))/(cytosol*TPIgTPIgKmDHAP*(1 + DHAPg[t]/TPIgTPIgKmDHAP + GA3Pg[t]/TPIgTPIgKmGA3P)) }; parameters = { AKcAKck1 -> 442.0, AKcAKck2 -> 1000.0, AKgAKgk1 -> 442.0, AKgAKgk2 -> 1000.0, ALDgALDgKeq -> 0.084, ALDgALDgKiADP -> 1.51, ALDgALDgKiAMP -> 3.65, ALDgALDgKiATP -> 0.68, ALDgALDgKiGA3P -> 0.098, ALDgALDgKmDHAP -> 0.015, ALDgALDgKmFru16BP -> 0.009, ALDgALDgKmGA3P -> 0.067, ALDgALDgVmax -> 560.0, ATPucATPuck -> 50.0, DHAPtgDHAPtgk -> 1000.0, ENOcENOcKeq -> 4.12, ENOcENOcKmPEP -> 0.24, ENOcENOcKmPGA2 -> 0.054, ENOcENOcVmax -> 598.0, EXTERNAL -> 0.0, G3PDHgG3PDHgKeq -> 17085.0, G3PDHgG3PDHgKmDHAP -> 0.1, G3PDHgG3PDHgKmGly3P -> 2.0, G3PDHgG3PDHgKmNAD -> 0.4, G3PDHgG3PDHgKmNADH -> 0.01, G3PDHgG3PDHgVmax -> 465.0, GA3PtgGA3Ptgk -> 1000.0, GAPDHgGAPDHgKeq -> 0.066, GAPDHgGAPDHgKmBPGA13 -> 0.1, GAPDHgGAPDHgKmGA3P -> 0.15, GAPDHgGAPDHgKmNAD -> 0.45, GAPDHgGAPDHgKmNADH -> 0.02, GAPDHgGAPDHgVmax -> 720.9, GKgGKgKeq -> 0.000837, GKgGKgKmADP -> 0.56, GKgGKgKmATP -> 0.24, GKgGKgKmGly -> 0.44, GKgGKgKmGly3P -> 3.83, GKgGKgVmax -> 200.0, GPOcGPOcKiSHAM -> 0.021, GPOcGPOcKmGly3P -> 1.7, GPOcGPOcVmax -> 368.0, GlcTcGlcTcKmGlc -> 1.1, GlcTcGlcTcVmax -> 111.7, GlcTcGlcTcalpha -> 0.75, GlcTgGlcTgk -> 250000.0, Gly3PtgGly3Ptgk -> 1000.0, GlyTcGlyTcKmGlye -> 0.17, GlyTcGlyTcVrmax -> 85.0, GlyTcGlyTck -> 8.5, GlyTcGlyTcx -> 1.0, GlyTcGlyTcy -> 1.0, GlytgGlytgk -> 1000.0, HXKgHXKgKeq -> 759.0, HXKgHXKgKmADP -> 0.126, HXKgHXKgKmATP -> 0.116, HXKgHXKgKmGlc -> 0.1, HXKgHXKgKmGlc6P -> 12.0, HXKgHXKgVmax -> 1929.0, O2c -> 1.0, PFKgPFKgKeq -> 1035.0, PFKgPFKgKi1 -> 15.8, PFKgPFKgKi2 -> 10.7, PFKgPFKgKmADP -> 1.0, PFKgPFKgKmATP -> 0.0648, PFKgPFKgKmFru6P -> 0.999, PFKgPFKgKsATP -> 0.0393, PFKgPFKgVmax -> 1708.0, PGA3TgPGA3Tgk -> 250.0, PGAMcPGAMcKeq -> 0.17, PGAMcPGAMcKmPGA2 -> 0.16, PGAMcPGAMcKmPGA3 -> 0.15, PGAMcPGAMcVmax -> 225.0, PGIgPGIgKeq -> 0.46, PGIgPGIgKmFru6P -> 0.12, PGIgPGIgKmGlc6P -> 0.4, PGIgPGIgVmax -> 1305.0, PGKgPGKgKeq -> 3376.0, PGKgPGKgKmADP -> 0.1, PGKgPGKgKmATP -> 0.29, PGKgPGKgKmBPGA13 -> 0.003, PGKgPGKgKmPGA3 -> 1.62, PGKgPGKgVmax -> 2862.0, PYKcPYKcKeq -> 10800.0, PYKcPYKcKiADP -> 0.64, PYKcPYKcKiATP -> 0.57, PYKcPYKcKmADP -> 0.114, PYKcPYKcKmATP -> 15.0, PYKcPYKcKmPEP -> 0.34, PYKcPYKcKmPyr -> 50.0, PYKcPYKcVmax -> 1020.0, PYKcPYKcn -> 2.5, PyrTcPyrTcKmPyr -> 1.96, PyrTcPyrTcVmax -> 230.0, SHAM -> 0.0, TPIgTPIgKeq -> 0.046, TPIgTPIgKmDHAP -> 1.2, TPIgTPIgKmGA3P -> 0.25, TPIgTPIgVmax -> 999.3, cytosol -> 5.4549, default -> 1.0, glycosome -> 0.2451, Glce -> 5.0, Glye -> 1*^-06, Pig -> 0.0, Pyre -> 0.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { massactionrev[k1_,S_,k2_,P_] -> -(k2*P) + k1*S, v1sub1prod[Vfmax_,Keq_,S_,Ks_,P_,Kp_] -> ((1 - P/(Keq*S))*S*Vfmax)/(Ks*(1 + P/Kp + S/Ks)), vAK[ADP_,AMP_,ATP_,k1_,k2_] -> ADP^2*k1 - AMP*ATP*k2, v1sub[Vfmax_,S_,Ks_] -> (S*Vfmax)/(Ks*(1 + S/Ks)), v2sub2prod[Vfmax_,Keq_,S1_,Ks1_,S2_,Ks2_,P1_,Kp1_,P2_,Kp2_] -> (S1*(1 - (P1*P2)/(Keq*S1*S2))*S2*Vfmax)/(Ks1*Ks2*(1 + P1/Kp1 + S1/Ks1)*(1 + P2/Kp2 + S2/Ks2)) }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADPc'[t] == 1.0*ATPuc -2.0*AKc -1.0*PYKc, ADPg'[t] == 22.2558*PFKg +22.2558*HXKg -22.2558*PGKg -22.2558*GKg -44.5116*AKg, AMPc'[t] == 1.0*AKc , AMPg'[t] == 22.2558*AKg , ATPc'[t] == 1.0*AKc +1.0*PYKc -1.0*ATPuc, ATPg'[t] == 22.2558*PGKg +22.2558*GKg +22.2558*AKg -22.2558*PFKg -22.2558*HXKg, BPGA13g'[t] == 22.2558*GAPDHg -22.2558*PGKg, DHAPc'[t] == 1.0*GPOc -1.0*DHAPtg, DHAPg'[t] == 22.2558*ALDg +22.2558*DHAPtg -22.2558*G3PDHg -22.2558*TPIg, Fru16BPg'[t] == 22.2558*PFKg -22.2558*ALDg, Fru6Pg'[t] == 22.2558*PGIg -22.2558*PFKg, GA3Pc'[t] == 1.0*GA3Ptg , GA3Pg'[t] == 22.2558*ALDg +22.2558*TPIg -22.2558*GAPDHg -22.2558*GA3Ptg, Glc6Pg'[t] == 22.2558*HXKg -22.2558*PGIg, Glcc'[t] == 1.0*GlcTc -1.0*GlcTg, Glcg'[t] == 22.2558*GlcTg -22.2558*HXKg, Gly3Pc'[t] == 1.0*Gly3Ptg -1.0*GPOc, Gly3Pg'[t] == 22.2558*G3PDHg -22.2558*GKg -22.2558*Gly3Ptg, Glyc'[t] == 1.0*Glytg -1.0*GlyTc, Glyg'[t] == 22.2558*GKg -22.2558*Glytg, NADHg'[t] == 22.2558*GAPDHg -22.2558*G3PDHg, NADg'[t] == 22.2558*G3PDHg -22.2558*GAPDHg, PEPc'[t] == 1.0*ENOc -1.0*PYKc, PGA2c'[t] == 1.0*PGAMc -1.0*ENOc, PGA3c'[t] == 1.0*PGA3Tg -1.0*PGAMc, PGA3g'[t] == 22.2558*PGKg -22.2558*PGA3Tg, Pyrc'[t] == 1.0*PYKc -1.0*PyrTc }; 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]}]