(* 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], B13PGAg[t], DHAPc[t], DHAPg[t], Fru16BPg[t], Fru6Pg[t], GA3Pg[t], Glc6Pg[t], Glcc[t], Glcg[t], Gly3Pc[t], Gly3Pg[t], NADHg[t], NADg[t], P2GAc[t], P3GAc[t], P3GAg[t], PEPc[t], Pyrc[t] }; initialValues = { ADPc[0] == 1.3165, ADPg[0] == 1.519, AMPc[0] == 2.2418, AMPg[0] == 4.2405, ATPc[0] == 0.3417, ATPg[0] == 0.2405, B13PGAg[0] == 0.5, DHAPc[0] == 2.23132912, DHAPg[0] == 8.483130623, Fru16BPg[0] == 10.0, Fru6Pg[0] == 0.5, GA3Pg[0] == 2.5, Glc6Pg[0] == 0.5, Glcc[0] == 0.1, Glcg[0] == 0.1, Gly3Pc[0] == 2.76867088, Gly3Pg[0] == 10.51686938, NADHg[0] == 2.0, NADg[0] == 2.0, P2GAc[0] == 0.1, P3GAc[0] == 0.1, P3GAg[0] == 0.1, PEPc[0] == 1.0, Pyrc[0] == 10.0 }; rates = { AKc, AKg, ALDg, ATPuc, ENOc, G3PDHg, GAPDHg, GDAg, GKg, GPOc, GlcTc, GlcTg, HXKg, P3GATg, PFKg, PGAMc, PGIg, PGKg, PYKc, PyrTc, TPIg }; rateEquations = { AKc -> AKcAKck1*ADPc[t]^2 - AKcAKck2*AMPc[t]*ATPc[t], AKg -> AKgAKgk1*ADPg[t]^2 - AKgAKgk2*AMPg[t]*ATPg[t], ALDg -> (ALDgALDgVmax*Fru16BPg[t]*(1 - (DHAPg[t]*GA3Pg[t])/(ALDgALDgKeq*Fru16BPg[t])))/(ALDgALDgKmFru16BP*(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])/ADPc[t], ENOc -> (ENOcENOcVmax*P2GAc[t]*(1 - PEPc[t]/(ENOcENOcKeq*P2GAc[t])))/(ENOcENOcKm2PGA*(1 + P2GAc[t]/ENOcENOcKm2PGA + PEPc[t]/ENOcENOcKmPEP)), G3PDHg -> (G3PDHgG3PDHgVmax*DHAPg[t]*(1 - (Gly3Pg[t]*NADg[t])/(G3PDHgG3PDHgKeq*DHAPg[t]*NADHg[t]))*NADHg[t])/(G3PDHgG3PDHgKmDHAP*G3PDHgG3PDHgKmNADH*(1 + DHAPg[t]/G3PDHgG3PDHgKmDHAP + Gly3Pg[t]/G3PDHgG3PDHgKmGly3P)*(1 + NADg[t]/G3PDHgG3PDHgKmNAD + NADHg[t]/G3PDHgG3PDHgKmNADH)), GAPDHg -> (GAPDHgGAPDHgVmax*GA3Pg[t]*NADg[t]*(1 - (B13PGAg[t]*NADHg[t])/(GAPDHgGAPDHgKeq*GA3Pg[t]*NADg[t])))/(GAPDHgGAPDHgKmGA3P*GAPDHgGAPDHgKmNAD*(1 + B13PGAg[t]/GAPDHgGAPDHgKm13BPGA + GA3Pg[t]/GAPDHgGAPDHgKmGA3P)*(1 + NADg[t]/GAPDHgGAPDHgKmNAD + NADHg[t]/GAPDHgGAPDHgKmNADH)), GDAg -> -(GDAgGDAgk*DHAPg[t]*Gly3Pc[t]) + GDAgGDAgk*DHAPc[t]*Gly3Pg[t], GKg -> (GKgGKgVmax*ADPg[t]*(1 - (Glye*ATPg[t])/(GKgGKgKeq*ADPg[t]*Gly3Pg[t]))*Gly3Pg[t])/(GKgGKgKmADP*GKgGKgKmGly3P*(1 + ADPg[t]/GKgGKgKmADP + ATPg[t]/GKgGKgKmATP)*(1 + Glye/GKgGKgKmGly + Gly3Pg[t]/GKgGKgKmGly3P)), GPOc -> (GPOcGPOcVmax*Gly3Pc[t])/(GPOcGPOcKmGly3P*(1 + Gly3Pc[t]/GPOcGPOcKmGly3P)), GlcTc -> (GlcTcGlcTcVmax*(Glce - Glcc[t]))/(Glce + GlcTcGlcTcKmGlc + Glcc[t] + (Glce*GlcTcGlcTcalpha*Glcc[t])/GlcTcGlcTcKmGlc), GlcTg -> GlcTgGlcTgk1*Glcc[t] - GlcTgGlcTgk2*Glcg[t], HXKg -> (HXKgHXKgVmax*ATPg[t]*(1 - (ADPg[t]*Glc6Pg[t])/(HXKgHXKgKeq*ATPg[t]*Glcg[t]))*Glcg[t])/(HXKgHXKgKmATP*HXKgHXKgKmGlc*(1 + ADPg[t]/HXKgHXKgKmADP + ATPg[t]/HXKgHXKgKmATP)*(1 + Glc6Pg[t]/HXKgHXKgKmGlc6P + Glcg[t]/HXKgHXKgKmGlc)), P3GATg -> -(P3GATgP3GATgk*P3GAc[t]) + P3GATgP3GATgk*P3GAg[t], PFKg -> (PFKgPFKgKi1*PFKgPFKgVmax*ATPg[t]*(1 - (ADPg[t]*Fru16BPg[t])/(PFKgPFKgKeq*ATPg[t]*Fru6Pg[t]))*Fru6Pg[t])/(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))), PGAMc -> (PGAMcPGAMcVmax*(1 - P2GAc[t]/(PGAMcPGAMcKeq*P3GAc[t]))*P3GAc[t])/(PGAMcPGAMcKm3PGA*(1 + P2GAc[t]/PGAMcPGAMcKm2PGA + P3GAc[t]/PGAMcPGAMcKm3PGA)), PGIg -> (PGIgPGIgVmax*(1 - Fru6Pg[t]/(PGIgPGIgKeq*Glc6Pg[t]))*Glc6Pg[t])/(PGIgPGIgKmGlc6P*(1 + PGIg6PGg/PGIgPGIgKi6PG + Fru6Pg[t]/PGIgPGIgKmFru6P + Glc6Pg[t]/PGIgPGIgKmGlc6P)), PGKg -> (PGKgPGKgVmax*ADPg[t]*B13PGAg[t]*(1 - (ATPg[t]*P3GAg[t])/(PGKgPGKgKeq*ADPg[t]*B13PGAg[t])))/(PGKgPGKgKm13BPGA*PGKgPGKgKmADP*(1 + ADPg[t]/PGKgPGKgKmADP + ATPg[t]/PGKgPGKgKmATP)*(1 + B13PGAg[t]/PGKgPGKgKm13BPGA + P3GAg[t]/PGKgPGKgKm3PGA)), 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])))/(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])/(PyrTcPyrTcKmPyr*(1 + Pyrc[t]/PyrTcPyrTcKmPyr)), TPIg -> (TPIgTPIgVmax*DHAPg[t]*(1 - GA3Pg[t]/(TPIgTPIgKeq*DHAPg[t])))/(TPIgTPIgKmDHAP*(1 + DHAPg[t]/TPIgTPIgKmDHAP + GA3Pg[t]/TPIgTPIgKmGA3P)) }; parameters = { AKcAKck1 -> 480.0, AKcAKck2 -> 1000.0, AKgAKgk1 -> 480.0, 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, ENOcENOcKeq -> 4.17, ENOcENOcKm2PGA -> 0.054, ENOcENOcKmPEP -> 0.24, ENOcENOcVmax -> 598.0, G3PDHgG3PDHgKeq -> 17085.0, G3PDHgG3PDHgKmDHAP -> 0.1, G3PDHgG3PDHgKmGly3P -> 2.0, G3PDHgG3PDHgKmNAD -> 0.4, G3PDHgG3PDHgKmNADH -> 0.01, G3PDHgG3PDHgVmax -> 465.0, GAPDHgGAPDHgKeq -> 0.066, GAPDHgGAPDHgKm13BPGA -> 0.1, GAPDHgGAPDHgKmGA3P -> 0.15, GAPDHgGAPDHgKmNAD -> 0.45, GAPDHgGAPDHgKmNADH -> 0.02, GAPDHgGAPDHgVmax -> 720.9, GDAgGDAgk -> 600.0, GKgGKgKeq -> 0.000837, GKgGKgKmADP -> 0.56, GKgGKgKmATP -> 0.24, GKgGKgKmGly -> 0.44, GKgGKgKmGly3P -> 3.83, GKgGKgVmax -> 200.0, GPOcGPOcKmGly3P -> 1.7, GPOcGPOcVmax -> 368.0, GlcTcGlcTcKmGlc -> 1.0, GlcTcGlcTcVmax -> 111.7, GlcTcGlcTcalpha -> 0.75, GlcTgGlcTgk1 -> 250000.0, GlcTgGlcTgk2 -> 250000.0, Glce -> 5.0, Glye -> 0.0, HXKgHXKgKeq -> 759.0, HXKgHXKgKmADP -> 0.126, HXKgHXKgKmATP -> 0.116, HXKgHXKgKmGlc -> 0.1, HXKgHXKgKmGlc6P -> 12.0, HXKgHXKgVmax -> 1774.68, P3GATgP3GATgk -> 250.0, PFKgPFKgKeq -> 1035.0, PFKgPFKgKi1 -> 15.8, PFKgPFKgKi2 -> 10.7, PFKgPFKgKmADP -> 1.0, PFKgPFKgKmATP -> 0.0648, PFKgPFKgKmFru6P -> 0.999, PFKgPFKgKsATP -> 0.0393, PFKgPFKgVmax -> 1708.0, PGAMcPGAMcKeq -> 0.17, PGAMcPGAMcKm2PGA -> 0.16, PGAMcPGAMcKm3PGA -> 0.15, PGAMcPGAMcVmax -> 225.0, PGIg6PGg -> 0.0841958, PGIgPGIgKeq -> 0.457, PGIgPGIgKi6PG -> 0.14, PGIgPGIgKmFru6P -> 0.12, PGIgPGIgKmGlc6P -> 0.4, PGIgPGIgVmax -> 1305.0, PGKgPGKgKeq -> 3377.0, PGKgPGKgKm13BPGA -> 0.003, PGKgPGKgKm3PGA -> 1.62, PGKgPGKgKmADP -> 0.1, PGKgPGKgKmATP -> 0.29, 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, Pig -> 0.0, PyrTcPyrTcKmPyr -> 1.96, PyrTcPyrTcVmax -> 230.0, Pyre -> 0.0, TPIgTPIgKeq -> 0.046, TPIgTPIgKmDHAP -> 1.2, TPIgTPIgKmGA3P -> 0.25, TPIgTPIgVmax -> 999.3, cytosol -> 5.4549, glycosome -> 0.2451, default -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADPc'[t] == 0.183321*ATPuc -0.366643*AKc -0.183321*PYKc, ADPg'[t] == 4.07997*PFKg +4.07997*HXKg -4.07997*GKg -8.15993*AKg -4.07997*PGKg, AMPc'[t] == 0.183321*AKc , AMPg'[t] == 4.07997*AKg , ATPc'[t] == 0.183321*AKc +0.183321*PYKc -0.183321*ATPuc, ATPg'[t] == 4.07997*GKg +4.07997*AKg +4.07997*PGKg -4.07997*PFKg -4.07997*HXKg, B13PGAg'[t] == 4.07997*GAPDHg -4.07997*PGKg, DHAPc'[t] == 0.183321*GPOc -0.183321*GDAg, DHAPg'[t] == 4.07997*GDAg +4.07997*ALDg -4.07997*G3PDHg -4.07997*TPIg, Fru16BPg'[t] == 4.07997*PFKg -4.07997*ALDg, Fru6Pg'[t] == 4.07997*PGIg -4.07997*PFKg, GA3Pg'[t] == 4.07997*TPIg +4.07997*ALDg -4.07997*GAPDHg, Glc6Pg'[t] == 4.07997*HXKg -4.07997*PGIg, Glcc'[t] == 0.183321*GlcTc -0.183321*GlcTg, Glcg'[t] == 4.07997*GlcTg -4.07997*HXKg, Gly3Pc'[t] == 0.183321*GDAg -0.183321*GPOc, Gly3Pg'[t] == 4.07997*G3PDHg -4.07997*GKg -4.07997*GDAg, NADHg'[t] == 4.07997*GAPDHg -4.07997*G3PDHg, NADg'[t] == 4.07997*G3PDHg -4.07997*GAPDHg, P2GAc'[t] == 0.183321*PGAMc -0.183321*ENOc, P3GAc'[t] == 0.183321*P3GATg -0.183321*PGAMc, P3GAg'[t] == 4.07997*PGKg -4.07997*P3GATg, PEPc'[t] == 0.183321*ENOc -0.183321*PYKc, Pyrc'[t] == 0.183321*PYKc -0.183321*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]}]