<simulation>
<header>
<title lang="french">Cinétique enzymatique avec une inhibition
compétitive</title>
<title lang="english">Enzymatic kinetics with a competitive
inhibition</title>
<title lang="spanish">Cinética enzimática con una inhibición competitiva</title>
<author>Pauss André, Mottelet Stéphane, Sarrazin Catherine, Guillaume Barbaud</author>
<date>August 24th, 2005</date>
<keywords>Simulation,scilab,xml</keywords>
<image href="inhib_competitive.gif" />
</header>
<parameters><section>
<title lang="french">Paramètres cinétiques et de concentration</title>
<title lang="english">Kinetics and concentration parameters</title>
<title lang="spanish">Parámetros cinéticos y de concentración</title>
<scalar increment="0.5" label="rMax" max="10" min="0.001" scale="1" state="normal" unit="h-1"><name lang="french">rmax (h-1)</name><name lang="english">rmax (h-1)</name><name lang="spanish">rmax (h-1)</name><notes lang="french">
<p>Vitesse maximale</p>
</notes><notes lang="english">
<p>Maximal rate</p>
</notes><notes lang="spanish">Velocidad máxima</notes><value>1</value></scalar>
<scalar increment="0.1" label="KM" max="10" min="0.1" scale="1" state="normal" unit="g / L"><name lang="french">KM (g / L)</name><name lang="english">KM (g / L)</name><name lang="spanish">KM (g / L)</name><notes lang="french">
<p>Constante de saturation</p>
</notes><notes lang="english">
<p>Saturation constant</p>
</notes><notes lang="spanish">Constante de saturación </notes><value>2</value></scalar>
<scalar increment="0.25" label="KI" max="10" min="0.1" scale="1" state="normal" unit="g / L"><name lang="french">KI (g / L)</name><name lang="english">KI (g / L)</name><name lang="spanish">KI (g/L)</name><notes lang="french">
<p>Constante d'inbition</p>
</notes><notes lang="english">
<p>Inhibition constant</p>
</notes><notes lang="spanish">Constante de inhibición</notes><value>5</value></scalar>
<scalar increment="1" label="s0" max="100" min="0.001" scale="1" state="normal" unit="g / L"><name lang="french">So (g / L)</name><name lang="english">So (g / L)</name><name lang="spanish">So (g/L)</name><notes lang="french">
<p>Concentration initiale de substrat</p>
</notes><notes lang="english">
<p>Initial concentration of substrate</p>
</notes><notes lang="spanish">Concentración inicial de sustrato</notes><value>25</value></scalar>
<scalar increment="0.25" label="I" max="100" min="0.001" scale="1" state="normal" unit="g / L"><name lang="french">I (g / L)</name><name lang="english">I (g / L)</name><name lang="spanish">I (g/L)</name><notes lang="french">
<p>Concentration en inhibiteur</p>
</notes><notes lang="english">
<p>Concentration of the inhibitor compound</p>
</notes><notes lang="spanish">Concentración en inhibidor</notes><value>2</value></scalar>
</section><section>
<title lang="french">Paramètres de simulation</title>
<title lang="english">Simulation parameters</title>
<title lang="spanish">Parámetros de simulación</title>
<scalar increment="1" label="final_time" max="200" min="0.001" scale="1" state="normal" unit="h"><name lang="french">Temps final (h)</name><name lang="english">Final time (h)</name><name lang="spanish">Tiempo final (h)</name><value>50</value></scalar>
<scalar increment="50" label="simulation_step" max="1000" min="100"><name lang="french">Nombre de pas de simulation</name><name lang="english">Number of steps for simulation</name><name lang="spanish">Numero de pasos de simulación</name><value>200</value></scalar>
</section><section>
<title lang="french">Points expérimentaux</title>
<title lang="english">Experimental data</title>
<title lang="spanish">Puntos experimentales</title>
<matrix clear="yes" cols="2" label="user_curve_mat" load="yes" rows="64" save="yes" stripcol="no" striprow="yes" widget="normal">
<name />
<col>
<name lang="french">Temps (h)</name>
<name lang="english">Time (h)</name>
<name lang="spanish">Tiempo (h)</name>
<value>0</value>
</col>
<col>
<name lang="french">Concentration (g/L)</name>
<name lang="english">Concentration (g/L)</name>
<name lang="spanish">Concentración (g/L)</name>
<value>0</value>
</col>
</matrix>
</section></parameters>
<compute>
<defdomain1d label="t" unit="h">
<name lang="french">Temps</name>
<name lang="english">Time</name>
<name lang="spanish">Tiempo</name>
<interval discretization="linear" steps="simulation_step">
<initialvalue>0</initialvalue>
<finalvalue>final_time</finalvalue>
</interval>
</defdomain1d>
<ode label="inhibition_competitive">
<refdomain1d ref="t" />
<states>
<state label="s" size="1" unit="g/L">
<name lang="french">Concentration en substrat</name>
<name lang="english">Substrate concentration</name>
<name lang="spanish">Concentración de sustrato</name>
<derivative>- rMax * s / (s+(KM * (1+I/(KI+%eps))))</derivative>
<initialcondition>s0</initialcondition>
</state>
</states>
<outputs>
<output label="r">
<name lang="french">r</name>
<name lang="english">mu</name>
<name lang="spanish">r</name>
<value>rMax*s./(s+(KM * (1+I/(KI+%eps))))</value>
</output>
</outputs>
</ode>
</compute>
<graphs>
<parametriccurve2d label="r_function_of_s">
<name lang="french">vitesse en fonction de S</name>
<name lang="english">rate as a function of S</name>
<name lang="spanish">Velocidad en función de S</name>
<x1>
<name lang="french">S (g/L)</name>
<name lang="english">S (g/L)</name>
<name lang="spanish">S (g/L)</name>
<value>s</value>
</x1>
<x2>
<name lang="french">r (g/L h)</name>
<name lang="english">r (g/L h)</name>
<name lang="spanish">r (g/L h)</name>
<value>r</value>
</x2>
</parametriccurve2d>
<parametriccurve2d label="user_curve">
<name lang="french">Points expérimentaux</name>
<name lang="english">Experimental data</name>
<name lang="spanish">Puntos experimentales</name>
<x1>
<value>user_curve_mat(:,1)</value>
</x1>
<x2>
<value>user_curve_mat(:,2)</value>
</x2>
</parametriccurve2d>
</graphs>
<display>
<window splitx="2">
<title lang="french">Résultats</title>
<title lang="english">Results</title>
<title lang="spanish">Resultados</title>
<axis2d xmax="final_time" xmin="0" ymax="s0" ymin="0">
<drawcurve2d color="green" ref="s" thickness="1" />
<drawcurve2d linetype="solid" marker="plus" ref="user_curve" />
</axis2d>
<axis2d xmax="1.2*s0" xmin="0" ymax="1.2*rMax" ymin="0">
<drawcurve2d ref="r_function_of_s" />
</axis2d>
</window>
</display>
</simulation>