def model individual_ABC as def import using "units_and_constants/units_BG.cellml" for unit mM using unit mM; unit fmol using unit fmol; unit per_fmol using unit per_fmol; unit J_per_mol using unit J_per_mol; unit fmol_per_sec using unit fmol_per_sec; unit C_per_mol using unit C_per_mol; unit J_per_C using unit J_per_C; unit microm3 using unit microm3; unit fF using unit fF; unit fC using unit fC; unit fA using unit fA; unit per_second using unit per_second; unit millivolt using unit millivolt; unit per_sec using unit per_sec; unit J_per_K_per_mol using unit J_per_K_per_mol; unit fmol_per_L using unit fmol_per_L; unit fmol_per_L_per_sec using unit fmol_per_L_per_sec; unit per_sec_per_fmol_per_L using unit per_sec_per_fmol_per_L; unit uM using unit uM; unit mM_per_sec using unit mM_per_sec; unit uM_per_sec using unit uM_per_sec; unit pL using unit pL; unit m_to_u using unit m_to_u; enddef; def import using "units_and_constants/constants_BG.cellml" for comp constants using comp constants; enddef; def comp environment as var time: second {pub: out}; // initial values var q_S_i: fmol {init: 1e-888, pub: out}; var q_S_o: fmol {init: 1e-888, pub: out}; var q_E_ADP: fmol {init: 1e-888, pub: out}; var q_E_ATP: fmol {init: 1e-888, pub: out}; var q_ATP: fmol {init: 1e-888, pub: out}; var q_ADP: fmol {init: 1e-888, pub: out}; var q_Pi: fmol {init: 1e-888, pub: out}; var q_S_E_ATP: fmol {init: 1e-888, pub: out}; var q_S_E_ADP: fmol {init: 1e-888, pub: out}; // From submodule var v_ReABind : fmol_per_sec {pub: in}; var v_ReSBind : fmol_per_sec {pub: in}; var v_ReHyd : fmol_per_sec {pub: in}; var v_ReRel: fmol_per_sec {pub: in}; ode(q_S_i, time) = vvv; ode(q_S_o, time) = vvv; ode(q_E_ADP, time) = vvv; ode(q_E_ATP, time) = vvv; ode(q_ATP, time) = vvv; ode(q_ADP, time) = vvv; ode(q_Pi, time) = vvv; ode(q_S_E_ATP, time) = vvv; ode(q_S_E_ADP, time) = vvv; enddef; def comp ABC_parameters as var kappa_ReABind : fmol_per_sec {init: 0.509703, pub: out}; var kappa_ReSBind : fmol_per_sec {init: 1.85478e-07, pub: out}; var kappa_ReHyd : fmol_per_sec {init: 185478, pub: out}; var kappa_ReRel: fmol_per_sec {init: 48186.7, pub: out}; var K_S_i: per_fmol {init: 1.58747e-11, pub: out}; var K_S_o: per_fmol {init: 6.46339e+08, pub: out}; var K_E_ADP: per_fmol {init: 0.000905319, pub: out}; var K_E_ATP: per_fmol {init: 5.7767, pub: out}; var K_ATP: per_fmol {init: 1.50077e+06, pub: out}; var K_ADP: per_fmol {init: 2.35199e-10, pub: out}; var K_Pi: per_fmol {init: 6.83676e-15, pub: out}; var K_S_E_ATP: per_fmol {init: 0.141881, pub: out}; var K_S_E_ADP: per_fmol {init: 0.546122, pub: out}; enddef; def comp ABC as var time: second {pub: in}; var R: J_per_K_per_mol {pub: in}; var T: kelvin {pub: in}; // parameters var kappa_ReABind : fmol_per_sec {pub: in}; var kappa_ReSBind : fmol_per_sec {pub: in}; var kappa_ReHyd : fmol_per_sec {pub: in}; var kappa_ReRel: fmol_per_sec {pub: in}; var K_S_i: per_fmol {pub: in}; var K_S_o: per_fmol {pub: in}; var K_E_ADP: per_fmol {pub: in}; var K_E_ATP: per_fmol {pub: in}; var K_ATP: per_fmol {pub: in}; var K_ADP: per_fmol {pub: in}; var K_Pi: per_fmol {pub: in}; var K_S_E_ATP: per_fmol {pub: in}; var K_S_E_ADP: per_fmol {pub: in}; // Input from global environment var q_S_i: fmol {pub: in}; var q_S_o: fmol {pub: in}; var q_E_ADP: fmol {pub: in}; var q_E_ATP: fmol {pub: in}; var q_ATP: fmol {pub: in}; var q_ADP: fmol {pub: in}; var q_Pi: fmol {pub: in}; var q_S_E_ATP: fmol {pub: in}; var q_S_E_ADP: fmol {pub: in}; // Constitutive parameters var mu_S_i: J_per_mol; var mu_S_o: J_per_mol; var mu_E_ADP: J_per_mol; var mu_E_ATP: J_per_mol; var mu_ATP: J_per_mol; var mu_ADP: J_per_mol; var mu_Pi: J_per_mol; var mu_S_E_ATP: J_per_mol; var mu_S_E_ADP: J_per_mol; var v_ReABind : fmol_per_sec {pub: out}; var v_ReSBind : fmol_per_sec {pub: out}; var v_ReHyd : fmol_per_sec {pub: out}; var v_ReRel: fmol_per_sec {pub: out}; mu_S_i = R*T*ln(K_S_i*q_S_i); mu_S_o = R*T*ln(K_S_o*q_S_o); mu_E_ADP = R*T*ln(K_E_ADP*q_E_ADP); mu_E_ATP = R*T*ln(K_E_ATP*q_E_ATP); mu_ATP = R*T*ln(K_ATP*q_ATP); mu_ADP = R*T*ln(K_ADP*q_ADP); mu_Pi = R*T*ln(K_Pi*q_Pi); mu_S_E_ATP = R*T*ln(K_S_E_ATP*q_S_E_ATP); mu_S_E_ADP = R*T*ln(K_S_E_ADP*q_S_E_ADP); v_ReABind = ppp; v_ReSBind = ppp; v_ReHyd = ppp; v_ReRel = ppp; enddef; def map between environment and ABC for vars time and time; vars q_S_i and q_S_i; vars q_S_o and q_S_o; vars q_E_ADP and q_E_ADP; vars q_E_ATP and q_E_ATP; vars q_ATP and q_ATP; vars q_ADP and q_ADP; vars q_Pi and q_Pi; vars q_S_E_ATP and q_S_E_ATP; vars q_S_E_ADP and q_S_E_ADP; vars v_ReABind and v_ReABind ; vars v_ReSBind and v_ReSBind ; vars v_ReHyd and v_ReHyd ; vars v_ReRel and v_ReRel; enddef; def map between ABC and ABC_parameters for vars kappa_ReABind and kappa_ReABind ; vars kappa_ReSBind and kappa_ReSBind ; vars kappa_ReHyd and kappa_ReHyd ; vars kappa_ReRel and kappa_ReRel; vars K_S_i and K_S_i; vars K_S_o and K_S_o; vars K_E_ADP and K_E_ADP; vars K_E_ATP and K_E_ATP; vars K_ATP and K_ATP; vars K_ADP and K_ADP; vars K_Pi and K_Pi; vars K_S_E_ATP and K_S_E_ATP; vars K_S_E_ADP and K_S_E_ADP; enddef; def map between constants and ABC for vars R and R; vars T and T; enddef; enddef;