// This model generated automatically from SBML // unit definitions import nsrunit; unit conversion off; // SBML property definitions property sbmlRole=string; property sbmlName=string; property sbmlCompartment=string; // SBML reactions // OxPhos: ADPi Pi => ATPi // MiCK: ATPi Cri => ADPi PCri // MMCK: ATP Cr => PCr ADP // ATPase: ATP <=> ADP P // Pi_diffusion: Pi => P // Cr_diffusion: Cri => Cr // ADP_diffusion: ADPi => ADP // PCr_diffusion: PCri => PCr // ATP_diffusion: ATPi => ATP math main { realDomain time second; time.min=0; extern time.max; extern time.delta; // variable definitions real IMS = .0625 L; real CYT = .75 L; real ADPi(time) uM; real ATPi(time) uM; real Cri(time) uM; real PCri(time) uM; real PCr(time) uM; real ADP(time) uM; real ATP(time) uM; real Cr(time) uM; real Pi(time) uM; real P(time) uM; real OxPhos(time) microkatal; real V_1 = 4600; real Ka_1 = 800; real Kb_1 = 20; real MiCK(time) microkatal; real Vf_2 = 2658; real Kia_2 = 750; real Kb_2 = 5200; real Vb_2 = 11160; real Kic_2 = 204.8; real Kd_2 = 500; real Kib_2 = 28800; real Kid_2 = 1600; real MMCK(time) microkatal; real Vf_3 = 6966; real Kia_3 = 900; real Kb_3 = 15500; real Vb_3 = 29250; real Kic_3 = 222.4; real Kd_3 = 1670; real Kib_3 = 34900; real Kid_3 = 4730; real ATPase(time) microkatal; real v_4 = 4600; real Pi_diffusion(time) microkatal; real k2_5 = 18.4; real Cr_diffusion(time) microkatal; real k1_6 = 14.6; real ADP_diffusion(time) microkatal; real k1_7 = 8.16; real PCr_diffusion(time) microkatal; real k1_8 = 14.6; real ATP_diffusion(time) microkatal; real k1_9 = 8.16; // equations when (time=time.min) ADPi = 0; ADPi:time = (-1*OxPhos + MiCK + -1*ADP_diffusion)/IMS; when (time=time.min) ATPi = 0; ATPi:time = (OxPhos + -1*MiCK + -1*ATP_diffusion)/IMS; when (time=time.min) Cri = 0; Cri:time = (-1*MiCK + -1*Cr_diffusion)/IMS; when (time=time.min) PCri = 0; PCri:time = (MiCK + -1*PCr_diffusion)/IMS; when (time=time.min) PCr = 0; PCr:time = (MMCK + PCr_diffusion)/CYT; when (time=time.min) ADP = 0; ADP:time = (MMCK + ATPase + ADP_diffusion)/CYT; when (time=time.min) ATP = 9700; ATP:time = (-1*MMCK + -1*ATPase + ATP_diffusion)/CYT; when (time=time.min) Cr = 26000; Cr:time = (-1*MMCK + Cr_diffusion)/CYT; when (time=time.min) Pi = 32000; Pi:time = (-1*OxPhos + -1*Pi_diffusion)/IMS; when (time=time.min) P = 0; P:time = (ATPase + Pi_diffusion)/CYT; OxPhos = IMS*(V_1*ADPi*Pi/(Ka_1*Kb_1*(1+ADPi/Ka_1+Pi/Kb_1+ADPi*Pi/(Ka_1*Kb_1)))); MiCK = IMS*((Vf_2*ATPi*Cri/(Kia_2*Kb_2)-Vb_2*ADPi*PCri/(Kic_2*Kd_2))/(1+Cri/Kib_2+PCri/Kid_2+ATPi*(1/Kia_2+Cri/(Kia_2*Kb_2))+ADPi*(1/Kic_2+Cri/(Kic_2*Kib_2)+PCri/(Kid_2*(Kic_2*Kd_2/Kid_2))))); MMCK = CYT*((Vf_3*ATP*Cr/(Kia_3*Kb_3)-Vb_3*ADP*PCr/(Kic_3*Kd_3))/(1+Cr/Kib_3+PCr/Kid_3+ATP*(1/Kia_3+Cr/(Kia_3*Kb_3))+ADP*(1/Kic_3+Cr/(Kic_3*Kib_3)+PCr/(Kid_3*(Kic_3*Kd_3/Kid_3))))); ATPase = CYT*v_4*ATP; Pi_diffusion = IMS*k2_5*Pi-CYT*k2_5*P; Cr_diffusion = IMS*k1_6*Cri-CYT*k1_6*Cr; ADP_diffusion = IMS*k1_7*ADPi-CYT*k1_7*ADP; PCr_diffusion = IMS*k1_8*PCri-CYT*k1_8*PCr; ATP_diffusion = IMS*k1_9*ATPi-CYT*k1_9*ATP; // variable properties IMS.sbmlRole="compartment"; CYT.sbmlRole="compartment"; ADPi.sbmlRole="species"; ADPi.sbmlCompartment="IMS"; ATPi.sbmlRole="species"; ATPi.sbmlCompartment="IMS"; Cri.sbmlRole="species"; Cri.sbmlCompartment="IMS"; PCri.sbmlRole="species"; PCri.sbmlCompartment="IMS"; PCr.sbmlRole="species"; PCr.sbmlCompartment="CYT"; ADP.sbmlRole="species"; ADP.sbmlCompartment="CYT"; ATP.sbmlRole="species"; ATP.sbmlCompartment="CYT"; Cr.sbmlRole="species"; Cr.sbmlCompartment="CYT"; Pi.sbmlRole="species"; Pi.sbmlCompartment="IMS"; P.sbmlRole="species"; P.sbmlCompartment="CYT"; OxPhos.sbmlRole="rate"; V_1.sbmlRole="parameter"; V_1.sbmlName="Vsynmax"; Ka_1.sbmlRole="parameter"; Ka_1.sbmlName="Kadp"; Kb_1.sbmlRole="parameter"; Kb_1.sbmlName="Kpi"; MiCK.sbmlRole="rate"; Vf_2.sbmlRole="parameter"; Kia_2.sbmlRole="parameter"; Kb_2.sbmlRole="parameter"; Vb_2.sbmlRole="parameter"; Kic_2.sbmlRole="parameter"; Kd_2.sbmlRole="parameter"; Kib_2.sbmlRole="parameter"; Kid_2.sbmlRole="parameter"; MMCK.sbmlRole="rate"; Vf_3.sbmlRole="parameter"; Kia_3.sbmlRole="parameter"; Kb_3.sbmlRole="parameter"; Vb_3.sbmlRole="parameter"; Kic_3.sbmlRole="parameter"; Kd_3.sbmlRole="parameter"; Kib_3.sbmlRole="parameter"; Kid_3.sbmlRole="parameter"; ATPase.sbmlRole="rate"; v_4.sbmlRole="parameter"; v_4.sbmlName="Vhyd"; Pi_diffusion.sbmlRole="rate"; k2_5.sbmlRole="parameter"; k2_5.sbmlName="Rpi"; Cr_diffusion.sbmlRole="rate"; k1_6.sbmlRole="parameter"; k1_6.sbmlName="Rcr"; ADP_diffusion.sbmlRole="rate"; k1_7.sbmlRole="parameter"; k1_7.sbmlName="Radp"; PCr_diffusion.sbmlRole="rate"; k1_8.sbmlRole="parameter"; k1_8.sbmlName="Jpcr"; ATP_diffusion.sbmlRole="rate"; k1_9.sbmlRole="parameter"; k1_9.sbmlName="Jatp"; }