(* 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 = { s100[t], s101[t], s102[t], s103[t], s104[t], s105[t], s106[t], s107[t], s108[t], s110[t], s111[t], s112[t], s113[t], s114[t], s115[t], s119[t], s35[t], s37[t], s38[t], s39[t], s42[t], s43[t], s44[t], s49[t], s51[t], s91[t], s92[t], s93[t], s94[t], s95[t], s96[t], s97[t], s98[t], s99[t] }; initialValues = { s100[0] == 0.288, s101[0] == 1.486, s102[0] == 0.616, s103[0] == 119.384, s104[0] == 0.003, s105[0] == 0.0, s106[0] == 3.214, s107[0] == 0.0, s108[0] == 0.0, s110[0] == 0.857, s111[0] == 3.23, s112[0] == 15.962, s113[0] == 5.577, s114[0] == 1.193, s115[0] == 0.09, s119[0] == 0.0, s35[0] == 0.0, s37[0] == 10000.0, s38[0] == 0.0, s39[0] == 0.0, s42[0] == 50.0, s43[0] == 0.006, s44[0] == 0.0, s49[0] == 10.0, s51[0] == 34.98, s91[0] == 819.25, s92[0] == 18.0, s93[0] == 0.605, s94[0] == 72.0, s95[0] == 57.0, s96[0] == 299.706, s97[0] == 98.514, s98[0] == 157.162, s99[0] == 299.997 }; rates = { re102, re103, re104, re105, re106, re107, re108, re109, re110, re111, re112, re113, re114, re115, re116, re117, re118, re119, re120, re121, re122, re123, re124, re125, re126, re127, re128, re129 }; rateEquations = { re102 -> (E^(re102\[LetterSpace]unity - (s39[t]/re102\[LetterSpace]tf)^0.35)*re102\[LetterSpace]normal*(re102\[LetterSpace]unity - (s39[t]/re102\[LetterSpace]tf)^0.35))/((re102\[LetterSpace]tiny\[LetterSpace]num + s39[t])/re102\[LetterSpace]unimol)^0.65, re103 -> E^(re103\[LetterSpace]unity - (s39[t]/re103\[LetterSpace]tf)^1.3)*re103\[LetterSpace]normal*(s39[t]/re103\[LetterSpace]unimol)^0.3*(re103\[LetterSpace]unity - (s39[t]/re103\[LetterSpace]tf)^1.3), re104 -> -(re104\[LetterSpace]kr3*s110[t]) + re104\[LetterSpace]k3*s91[t]*s93[t], re105 -> -(re105\[LetterSpace]kr4*s112[t]) + re105\[LetterSpace]k4*s110[t]*s92[t], re106 -> re106\[LetterSpace]k5*s111[t]*s112[t] - re106\[LetterSpace]kr5*s113[t], re107 -> re107\[LetterSpace]k6*s113[t] - re107\[LetterSpace]kr6*s114[t]*s93[t], re108 -> (re108\[LetterSpace]V8*s98[t])/(re108\[LetterSpace]Km8 + s98[t]), re109 -> re109\[LetterSpace]k7*s114[t], re110 -> re110\[LetterSpace]k25*s115[t], re111 -> re111\[LetterSpace]k24t1*s107[t] + re111\[LetterSpace]k24t2*s49[t], re112 -> (re112\[LetterSpace]k9*s103[t]*s114[t])/(re112\[LetterSpace]Km9 + s103[t]), re113 -> (re113\[LetterSpace]V10*s102[t])/(re113\[LetterSpace]Km10 + s102[t]), re114 -> (re114\[LetterSpace]k11*s102[t]*s97[t])/(re114\[LetterSpace]Km11 + s97[t]), re115 -> (re115\[LetterSpace]V12*s101[t])/(re115\[LetterSpace]Km12 + s101[t]), re116 -> (re116\[LetterSpace]k13*s101[t]*s96[t])/(re116\[LetterSpace]Km13 + s96[t]), re117 -> (re117\[LetterSpace]V14*s100[t])/(re117\[LetterSpace]Km14 + s100[t]), re118 -> (re118\[LetterSpace]k17*s43[t]*s99[t])/(re118\[LetterSpace]Km17 + s99[t]), re119 -> (re119\[LetterSpace]V18*s104[t])/(re119\[LetterSpace]Km18 + s104[t]), re120 -> re120\[LetterSpace]k26*s106[t], re121 -> (re121\[LetterSpace]V27*s106[t])/(re121\[LetterSpace]Km27 + s106[t]), re122 -> re122\[LetterSpace]unitime, re123 -> (re123\[LetterSpace]V16*s43[t])/(re123\[LetterSpace]Km16 + s43[t]), re124 -> (re124\[LetterSpace]k15*s100[t]*s101[t])/(re124\[LetterSpace]Km15 + s100[t]), re125 -> (re125\[LetterSpace]V20*s44[t])/(re125\[LetterSpace]Km20 + s44[t]), re126 -> (re126\[LetterSpace]k19*s104[t]*s43[t])/(re126\[LetterSpace]Km19 + s104[t]), re127 -> (re127\[LetterSpace]k21*s42[t]*s44[t])/(re127\[LetterSpace]Km21 + s42[t]), re128 -> (re128\[LetterSpace]V22*s107[t])/(re128\[LetterSpace]Km22 + s107[t]), re129 -> (29.256*E^(re129\[LetterSpace]tau*(re129\[LetterSpace]delay - s39[t]/re129\[LetterSpace]tc)))/((1 + 2*E^(re129\[LetterSpace]tau*(re129\[LetterSpace]delay - s39[t]/re129\[LetterSpace]tc)) + E^(2*re129\[LetterSpace]tau*(re129\[LetterSpace]delay - s39[t]/re129\[LetterSpace]tc)))*re129\[LetterSpace]uc) }; parameters = { re102\[LetterSpace]normal -> 4.0, re102\[LetterSpace]tf -> 60.0, re102\[LetterSpace]unity -> 1.0, re102\[LetterSpace]unimol -> 1.0, re102\[LetterSpace]tiny\[LetterSpace]num -> 1*^-06, re103\[LetterSpace]normal -> 0.026, re103\[LetterSpace]tf -> 540.0, re103\[LetterSpace]unity -> 1.0, re103\[LetterSpace]unimol -> 1.0, re104\[LetterSpace]k3 -> 0.1, re104\[LetterSpace]kr3 -> 1.0, re105\[LetterSpace]k4 -> 8.33, re105\[LetterSpace]kr4 -> 5.0, re106\[LetterSpace]k5 -> 60.0, re106\[LetterSpace]kr5 -> 546.0, re107\[LetterSpace]k6 -> 2040.0, re107\[LetterSpace]kr6 -> 15700.0, re108\[LetterSpace]V8 -> 154.0, re108\[LetterSpace]Km8 -> 340.0, re109\[LetterSpace]k7 -> 40.8, re110\[LetterSpace]k25 -> 0.001, re111\[LetterSpace]k24t1 -> 0.00012, re111\[LetterSpace]k24t2 -> 9*^-06, re112\[LetterSpace]k9 -> 0.222, re112\[LetterSpace]Km9 -> 0.181, re113\[LetterSpace]V10 -> 0.289, re113\[LetterSpace]Km10 -> 0.0571, re114\[LetterSpace]k11 -> 0.035, re114\[LetterSpace]Km11 -> 10.0, re115\[LetterSpace]Km12 -> 8.0, re115\[LetterSpace]V12 -> 0.125, re116\[LetterSpace]k13 -> 0.005, re116\[LetterSpace]Km13 -> 15.0, re117\[LetterSpace]Km14 -> 15.0, re117\[LetterSpace]V14 -> 0.375, re118\[LetterSpace]k17 -> 0.002, re118\[LetterSpace]Km17 -> 30.0, re119\[LetterSpace]Km18 -> 15.0, re119\[LetterSpace]V18 -> 0.05, re120\[LetterSpace]k26 -> 2.8*^-05, re121\[LetterSpace]V27 -> 0.02824, re121\[LetterSpace]Km27 -> 16.0, re122\[LetterSpace]unitime -> 1.0, re123\[LetterSpace]V16 -> 0.375, re123\[LetterSpace]Km16 -> 15.0, re124\[LetterSpace]k15 -> 0.005, re124\[LetterSpace]Km15 -> 15.0, re125\[LetterSpace]V20 -> 0.05, re125\[LetterSpace]Km20 -> 15.0, re126\[LetterSpace]k19 -> 0.002, re126\[LetterSpace]Km19 -> 30.0, re127\[LetterSpace]Km21 -> 25.0, re127\[LetterSpace]k21 -> 4*^-05, re128\[LetterSpace]Km22 -> 5.0, re128\[LetterSpace]V22 -> 0.002, re129\[LetterSpace]tau -> 0.55, re129\[LetterSpace]tc -> 3600.0, re129\[LetterSpace]uc -> 3600.0, re129\[LetterSpace]delay -> 5.0, re129\[LetterSpace]unity -> 20.0, c1 -> 1.0, c3 -> 1.0, default -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "substance", "extent" -> "substance"} }; (* Time evolution *) odes = { s100'[t] == 1.0*re116 +1.0*re123 -1.0*re117 -1.0*re124, s101'[t] == 1.0*re114 -1.0*re115, s102'[t] == 1.0*re112 -1.0*re113, s103'[t] == 1.0*re113 -1.0*re112, s104'[t] == 1.0*re118 +1.0*re125 -1.0*re119 -1.0*re126, s105'[t] == -1.0*re129, s106'[t] == 1.0*re110 -1.0*re120, s107'[t] == 1.0*re127 -1.0*re128, s108'[t] == -1.0*re111, s110'[t] == 1.0*re104 -1.0*re105, s111'[t] == 1.0*re109 -1.0*re106, s112'[t] == 1.0*re105 -1.0*re106, s113'[t] == 1.0*re106 -1.0*re107, s114'[t] == 1.0*re107 -1.0*re109, s115'[t] == 1.0*re111 -1.0*re110, s119'[t] == 0.0 , s35'[t] == 1.0*re120 , s37'[t] == -1.0*re121, s38'[t] == -1.0*re122, s39'[t] == 1.0*re122 , s42'[t] == 1.0*re128 -1.0*re127, s43'[t] == 1.0*re124 -1.0*re123, s44'[t] == 1.0*re126 -1.0*re125, s49'[t] == 1.0*re129 , s51'[t] == 1.0*re121 , s91'[t] == 1.0*re108 -1.0*re104, s92'[t] == 1.0*re103 , s93'[t] == 1.0*re102 +1.0*re107 -1.0*re104, s94'[t] == -1.0*re103, s95'[t] == -1.0*re102, s96'[t] == 1.0*re117 -1.0*re116, s97'[t] == 1.0*re115 -1.0*re114, s98'[t] == 1.0*re109 -1.0*re108, s99'[t] == 1.0*re119 -1.0*re118 }; 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]}]