📄 hivfit.gps
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Version=3.21301EndTime=3.750000e+003Points=300OutputTimeZero=1RealTime=0SleepTime=1TimeUnit=sConcentrationUnit=uMVolumeUnit=mlTimeElasticities=0Dynamics=1SteadyState=0Report=1DynTitles=0SSTitles=0DynQuotes=0SSQuotes=0DynColWidth=12SSColWidth=12DynSeparator=32SSSeparator=32SSMCAUnscaled=0SSStrategy=0SSBackIntegration=1RepStructuralAnalysis=0RepStabilityAnalysis=0RepMCA=1NewtonLimit=50SSResoltion=1.000000e-009RelativeTolerance=1.000000e-006AbsoluteTolerance=1.000000e-012AdamsMaxOrder=12BDFMaxOrder=5DerivationFactor=1.000000e-003ReportFile=hivfit.txtDynamicsFile=hivfit.dynSSFile=simresults.ssTitle=Irreversible inhibition of HIV proteinaseTotalMetabolites=10TotalSteps=6TotalMoieties=3TotalCompartments=1TotalUDKinetics=0Metabolite=MConcentration=0Compartment=0Type=1Metabolite=EConcentration=0.004Compartment=0Type=1Metabolite=SConcentration=25Compartment=0Type=1Metabolite=ESConcentration=0Compartment=0Type=1Metabolite=PConcentration=0Compartment=0Type=1Metabolite=EPConcentration=0Compartment=0Type=2Metabolite=IConcentration=0.004Compartment=0Type=2Metabolite=EIConcentration=0Compartment=0Type=1Metabolite=EJConcentration=0Compartment=0Type=2Metabolite=offsetConcentration=0.1Compartment=0Type=0Metabolite=- 0.5*M - E + S + P + I Concentration=17.31745842034113Compartment=0Type=7Metabolite= S + ES + P + EP Concentration=17.31751659752849Compartment=0Type=7Metabolite= 0.5*M + E - S - P + EI + EJ Concentration=-17.31345842034112Compartment=0Type=7Step=R1Equation=M + M = EKineticType=Mass action (reversible)Flux=0Reversible=1Substrates=2Products=1Modifiers=0Constants=2Subs0=0Subs1=0Prod0=1Param0=0.1Param1=0.0001Step=R2Equation=E + S = ESKineticType=Mass action (reversible)Flux=0Reversible=1Substrates=2Products=1Modifiers=0Constants=2Subs0=1Subs1=2Prod0=3Param0=100Param1=300Step=R3Equation=ES -> E + PKineticType=Mass action (irreversible)Flux=0Reversible=0Substrates=1Products=2Modifiers=0Constants=1Subs0=3Prod0=1Prod1=4Param0=10Step=R4Equation=E + P = EPKineticType=Mass action (reversible)Flux=0Reversible=1Substrates=2Products=1Modifiers=0Constants=2Subs0=1Subs1=4Prod0=5Param0=100Param1=500Step=R5Equation=E + I = EIKineticType=Mass action (reversible)Flux=0Reversible=1Substrates=2Products=1Modifiers=0Constants=2Subs0=1Subs1=6Prod0=7Param0=100Param1=0.1Step=R6Equation=EI -> EJKineticType=Mass action (irreversible)Flux=0Reversible=0Substrates=1Products=1Modifiers=0Constants=1Subs0=7Prod0=8Param0=0.1Compartment=compartmentVolume=1.000000e+000CommentsExample 1 of Kuzmic (1996) Anal. Biochem. 237, 260-273
Fitting 5 kinetic constants considering that the initial concentrations
of enzyme and substrate and the offset of the fluorimeter have some
uncertainty.EndCommentsPlotType=2PlotDyn=1Plot3d=0PlotGrid=0PlotKey=0PlotTitles=1PlotMultiplot=0PlotContour=0PlotHidden3d=0PlotLogX=0PlotLogY=0PlotLogZ=0PlotXEntry=0PlotYTotal=1PlotZTotal=1PlotY0=2PlotZ0=-1User-defined functionsItems=2Name=dP/dtDescription=t-qNodes=4Node=37,64Node=73,116Title=J(R3)Type=4I=R3Node=79,45Node=73,113Title=J(R4)Type=4I=R4Name=signalDescription=p*0.024+oNodes=6Node=37,64Node=73,112Title=[P]Type=2I=PNode=79,42Node=78,64Value=2.400000e-002Node=79,43Node=73,111Title=[offset]iType=1I=offsetInteractive time courseItems=0Time-course outputItems=12Title=timeType=14Title=[I]iType=1I=ITitle=signalType=24Title=[M]tType=3I=MTitle=[E]tType=3I=ETitle=[S]tType=3I=STitle=[ES]tType=3I=ESTitle=[P]tType=3I=PTitle=[EP]tType=3I=EPTitle=[I]tType=3I=ITitle=[EI]tType=3I=EITitle=[EJ]tType=3I=EJSteady-state outputItems=0ScanEnabled=0Dimension=1Title=[I]iType=1I=IMin=0.0000000000000000Max=0.0040000000000000Density=4Log=0Independent=1Grid=0Parameter LinksItems=0OptimisationEnabled=0SetModel=0Sign=1.0OptimiseDyn=1Constrained=0Method=Evolutionary programmingP0=100P1=1e-005P2=0.2P3=1e-005P4=1Title=Type=0Parameters=0FittingEnabled=1SetModel=0FitDyn=1Constrained=0FitDataFile=irrevers.txtFitSeparator=32FitLines=1500Method=Levenberg-MarquardtP0=100P1=1e-005P2=0.2P3=1e-005P4=1Parameters=5MinType=1MaxType=1MinIneq=1MaxIneq=1MinD=0MaxD=100000IsParameter=1Title=R2(k2)Type=6I=R2J=k2Min=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=1MaxType=1MinIneq=1MaxIneq=1MinD=0MaxD=100000IsParameter=1Title=R3(k)Type=6I=R3J=kMin=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=1MaxType=1MinIneq=1MaxIneq=1MinD=0MaxD=100000IsParameter=1Title=R4(k2)Type=6I=R4J=k2Min=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=1MaxType=1MinIneq=1MaxIneq=1MinD=0MaxD=100000IsParameter=1Title=R5(k2)Type=6I=R5J=k2Min=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=1MaxType=1MinIneq=1MaxIneq=1MinD=0MaxD=100000IsParameter=1Title=R6(k)Type=6I=R6J=kMin=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0AdjConcentrations=3MinType=4MaxType=4MinIneq=1MaxIneq=1MinD=0MaxD=0.5IsParameter=1Title=[S]iType=1I=SMin=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=4MaxType=4MinIneq=1MaxIneq=1MinD=0MaxD=0.5IsParameter=1Title=[E]iType=1I=EMin=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0MinType=4MaxType=4MinIneq=1MaxIneq=1MinD=0MaxD=3IsParameter=1Title=[offset]iType=1I=offsetMin=1.0000000000000000Max=2.0000000000000000Density=2Log=0Independent=1Grid=-1Title=Type=0Title=Type=0FitXItems=2Title=[I]iType=1I=ITitle=timeType=14FitYItems=1Title=signalType=24⌨️ 快捷键说明
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