def model individual_HaiMurphy 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_A: fmol {init: 1}; var q_M: fmol {init: 1}; var q_Mp: fmol {init: 0}; var q_AM: fmol {init: 0}; var q_AMp: fmol {init: 0}; var q_Pi: fmol {init: 570}; var q_Ca_i: fmol {init: 1e-888, pub: out}; var q_cGMP: fmol {init: 1e-888, pub: out}; // From submodule var v_R_12: fmol_per_sec {pub: in}; var v_R_34: fmol_per_sec {pub: in}; var v_R_56: fmol_per_sec {pub: in}; var v_R_78: fmol_per_sec {pub: in}; ode(q_A, time) = -v_R_34+v_R_78; ode(q_M, time) = -v_R_12+v_R_78; ode(q_Mp, time) = v_R_12-v_R_34; ode(q_AM, time) = v_R_56-v_R_78; ode(q_AMp, time) = v_R_34-v_R_56; ode(q_Pi, time) = -v_R_12+v_R_56; ode(q_Ca_i, time) = vvv; ode(q_cGMP, time) = vvv; // stress calculation: from original paper, // stress = AM + AMp var stress: dimensionless; stress = (q_AM+q_AMp)/1{fmol}; enddef; def comp HaiMurphy_parameters as var kappa_R_12: fmol_per_sec {init: 0.117606, pub: out}; var kappa_R_34: fmol_per_sec {init: 6.98167, pub: out}; var kappa_R_56: fmol_per_sec {init: 2.11691, pub: out}; var kappa_R_78: fmol_per_sec {init: 0.0270688, pub: out}; var K_A: per_fmol {init: 0.532601, pub: out}; var K_M: per_fmol {init: 4.08193, pub: out}; var K_Mp: per_fmol {init: 0.0351692, pub: out}; var K_AM: per_fmol {init: 0.448094, pub: out}; var K_AMp: per_fmol {init: 0.0038607, pub: out}; var K_Pi: per_fmol {init: 250.692, pub: out}; var K_Ca_i: per_fmol {init: 0.145785, pub: out}; var K_cGMP: per_fmol {init: 0.0971738, pub: out}; enddef; def comp HaiMurphy as var time: second {pub: in}; var R: J_per_K_per_mol {pub: in}; var T: kelvin {pub: in}; // parameters var kappa_R_12: fmol_per_sec {pub: in}; var kappa_R_34: fmol_per_sec {pub: in}; var kappa_R_56: fmol_per_sec {pub: in}; var kappa_R_78: fmol_per_sec {pub: in}; var K_A: per_fmol {pub: in}; var K_M: per_fmol {pub: in}; var K_Mp: per_fmol {pub: in}; var K_AM: per_fmol {pub: in}; var K_AMp: per_fmol {pub: in}; var K_Pi: per_fmol {pub: in}; var K_Ca_i: per_fmol {pub: in}; var K_cGMP: per_fmol {pub: in}; // Input from global environment var q_A: fmol {pub: in}; var q_M: fmol {pub: in}; var q_Mp: fmol {pub: in}; var q_AM: fmol {pub: in}; var q_AMp: fmol {pub: in}; var q_Pi: fmol {pub: in}; var q_Ca_i: fmol {pub: in}; var q_cGMP: fmol {pub: in}; // Constitutive parameters var mu_A: J_per_mol; var mu_M: J_per_mol; var mu_Mp: J_per_mol; var mu_AM: J_per_mol; var mu_AMp: J_per_mol; var mu_Pi: J_per_mol; var mu_Ca_i: J_per_mol; var mu_cGMP: J_per_mol; var v_R_12: fmol_per_sec {pub: out}; var v_R_34: fmol_per_sec {pub: out}; var v_R_56: fmol_per_sec {pub: out}; var v_R_78: fmol_per_sec {pub: out}; mu_A = R*T*ln(K_A*q_A); mu_M = R*T*ln(K_M*q_M); mu_Mp = R*T*ln(K_Mp*q_Mp); mu_AM = R*T*ln(K_AM*q_AM); mu_AMp = R*T*ln(K_AMp*q_AMp); mu_Pi = R*T*ln(K_Pi*q_Pi); mu_Ca_i = R*T*ln(K_Ca_i*q_Ca_i); mu_cGMP = R*T*ln(K_cGMP*q_cGMP); v_R_12 = kappa_R_12*(exp((mu_M+mu_Pi)/(R*T))-exp(mu_Mp/(R*T))); v_R_34 = kappa_R_34*(exp((mu_A+mu_Mp)/(R*T))-exp(mu_AMp/(R*T))); v_R_56 = kappa_R_56*(exp(mu_AMp/(R*T))-exp((mu_AM+mu_Pi)/(R*T))); v_R_78 = kappa_R_78*(exp(mu_AM/(R*T))-exp((mu_A+mu_M)/(R*T))); enddef; def map between environment and HaiMurphy for vars time and time; vars q_A and q_A; vars q_M and q_M; vars q_Mp and q_Mp; vars q_AM and q_AM; vars q_AMp and q_AMp; vars q_Pi and q_Pi; vars q_Ca_i and q_Ca_i; vars q_cGMP and q_cGMP; vars v_R_12 and v_R_12; vars v_R_34 and v_R_34; vars v_R_56 and v_R_56; vars v_R_78 and v_R_78; enddef; def map between HaiMurphy and HaiMurphy_parameters for vars kappa_R_12 and kappa_R_12; vars kappa_R_34 and kappa_R_34; vars kappa_R_56 and kappa_R_56; vars kappa_R_78 and kappa_R_78; vars K_A and K_A; vars K_M and K_M; vars K_Mp and K_Mp; vars K_AM and K_AM; vars K_AMp and K_AMp; vars K_Pi and K_Pi; vars K_Ca_i and K_Ca_i; vars K_cGMP and K_cGMP; enddef; def map between constants and HaiMurphy for vars R and R; vars T and T; enddef; enddef;