function [VOI, STATES, ALGEBRAIC, CONSTANTS] = mainFunction() % This is the "main function". In Matlab, things work best if you rename this function to match the filename. [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel(); end function [algebraicVariableCount] = getAlgebraicVariableCount() % Used later when setting a global variable with the number of algebraic variables. % Note: This is not the "main method". algebraicVariableCount =5; end % There are a total of 13 entries in each of the rate and state variable arrays. % There are a total of 45 entries in the constant variable array. % function [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel() % Create ALGEBRAIC of correct size global algebraicVariableCount; algebraicVariableCount = getAlgebraicVariableCount(); % Initialise constants and state variables [INIT_STATES, CONSTANTS] = initConsts; % Set timespan to solve over tspan = [0, 10]; % Set numerical accuracy options for ODE solver options = odeset('RelTol', 1e-06, 'AbsTol', 1e-06, 'MaxStep', 1); % Solve model with ODE solver [VOI, STATES] = ode15s(@(VOI, STATES)computeRates(VOI, STATES, CONSTANTS), tspan, INIT_STATES, options); % Compute algebraic variables [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS); ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI); % Plot state variables against variable of integration [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends(); figure(); plot(VOI, STATES); xlabel(LEGEND_VOI); l = legend(LEGEND_STATES); set(l,'Interpreter','none'); end function [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends() LEGEND_STATES = ''; LEGEND_ALGEBRAIC = ''; LEGEND_VOI = ''; LEGEND_CONSTANTS = ''; LEGEND_VOI = strpad('time in component environment (minute)'); LEGEND_STATES(:,1) = strpad('r in component r (dimensionless)'); LEGEND_ALGEBRAIC(:,1) = strpad('c1 in component c1 (dimensionless)'); LEGEND_STATES(:,2) = strpad('c2 in component c2 (dimensionless)'); LEGEND_CONSTANTS(:,1) = strpad('L in component model_parameters (nanomolar)'); LEGEND_CONSTANTS(:,2) = strpad('kt in component model_parameters (first_order_rate_constant)'); LEGEND_CONSTANTS(:,3) = strpad('kxR0 in component model_parameters (first_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k_minusx in component model_parameters (first_order_rate_constant)'); LEGEND_CONSTANTS(:,5) = strpad('KDL in component model_parameters (nanomolar)'); LEGEND_CONSTANTS(:,6) = strpad('ke in component model_parameters (first_order_rate_constant)'); LEGEND_ALGEBRAIC(:,2) = strpad('e_PI3K in component e_PI3K (dimensionless)'); LEGEND_CONSTANTS(:,7) = strpad('kappa_PI3K in component e_PI3K (dimensionless)'); LEGEND_CONSTANTS(:,8) = strpad('alpha_PI3K in component e_PI3K (dimensionless)'); LEGEND_STATES(:,3) = strpad('m_3PI in component m_3PI (dimensionless)'); LEGEND_CONSTANTS(:,9) = strpad('k_3PI in component m_3PI (first_order_rate_constant)'); LEGEND_ALGEBRAIC(:,3) = strpad('e_GEF in component e_GEF (dimensionless)'); LEGEND_CONSTANTS(:,10) = strpad('K_GR in component e_GEF (dimensionless)'); LEGEND_CONSTANTS(:,11) = strpad('K_GP in component e_GEF (dimensionless)'); LEGEND_STATES(:,4) = strpad('f_GEF in component f_GEF (dimensionless)'); LEGEND_STATES(:,5) = strpad('m_Ras in component m_Ras (dimensionless)'); LEGEND_CONSTANTS(:,12) = strpad('k_Ras in component m_Ras (first_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('gamma in component m_Ras (dimensionless)'); LEGEND_STATES(:,6) = strpad('x1 in component x1 (dimensionless)'); LEGEND_CONSTANTS(:,14) = strpad('kd_x1 in component x1 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('KM_x11 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,16) = strpad('KM_x12 in component model_parameters (dimensionless)'); LEGEND_STATES(:,7) = strpad('y in component y (dimensionless)'); LEGEND_ALGEBRAIC(:,4) = strpad('yp in component yp (dimensionless)'); LEGEND_STATES(:,8) = strpad('x2 in component x2 (dimensionless)'); LEGEND_CONSTANTS(:,17) = strpad('kd_x2 in component x2 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,18) = strpad('K_x2 in component x2 (dimensionless)'); LEGEND_CONSTANTS(:,19) = strpad('KM_x21 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,20) = strpad('KM_x22 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,21) = strpad('Vmax_yph1_KM_yph1 in component y (first_order_rate_constant)'); LEGEND_CONSTANTS(:,22) = strpad('KM_yph1 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,23) = strpad('KM_yph2 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,24) = strpad('Vmax_x11_KM_x11 in component model_parameters (first_order_rate_constant)'); LEGEND_CONSTANTS(:,25) = strpad('Vmax_x21_KM_x21 in component model_parameters (first_order_rate_constant)'); LEGEND_STATES(:,9) = strpad('ypp in component ypp (dimensionless)'); LEGEND_CONSTANTS(:,26) = strpad('Vmax_yph2_KM_yph2 in component ypp (first_order_rate_constant)'); LEGEND_CONSTANTS(:,27) = strpad('KM_y1 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,28) = strpad('KM_y2 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,29) = strpad('Vmax_x12_KM_x12 in component model_parameters (first_order_rate_constant)'); LEGEND_CONSTANTS(:,30) = strpad('Vmax_x22_KM_x22 in component model_parameters (first_order_rate_constant)'); LEGEND_STATES(:,10) = strpad('z in component z (dimensionless)'); LEGEND_ALGEBRAIC(:,5) = strpad('zp in component zp (dimensionless)'); LEGEND_CONSTANTS(:,31) = strpad('Vmax_zph1_KM_zph1 in component z (first_order_rate_constant)'); LEGEND_CONSTANTS(:,32) = strpad('Vmax_y1_KM_y1 in component z (first_order_rate_constant)'); LEGEND_CONSTANTS(:,33) = strpad('KM_zph1 in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,34) = strpad('KM_zph2 in component model_parameters (dimensionless)'); LEGEND_STATES(:,11) = strpad('zpp in component zpp (dimensionless)'); LEGEND_STATES(:,12) = strpad('e_ph in component e_ph (dimensionless)'); LEGEND_CONSTANTS(:,35) = strpad('Vmax_zph2_KM_zph2 in component zpp (first_order_rate_constant)'); LEGEND_CONSTANTS(:,36) = strpad('Vmax_y2_KM_y2 in component zpp (first_order_rate_constant)'); LEGEND_CONSTANTS(:,37) = strpad('n in component f_GEF (dimensionless)'); LEGEND_CONSTANTS(:,38) = strpad('Kf in component f_GEF (dimensionless)'); LEGEND_CONSTANTS(:,39) = strpad('Zf in component f_GEF (dimensionless)'); LEGEND_CONSTANTS(:,40) = strpad('k_FB_f in component f_GEF (first_order_rate_constant)'); LEGEND_STATES(:,13) = strpad('w in component w (dimensionless)'); LEGEND_CONSTANTS(:,41) = strpad('kd_w in component w (first_order_rate_constant)'); LEGEND_CONSTANTS(:,42) = strpad('k_FB_ph in component e_ph (first_order_rate_constant)'); LEGEND_CONSTANTS(:,43) = strpad('p in component e_ph (dimensionless)'); LEGEND_CONSTANTS(:,44) = strpad('Wph in component e_ph (dimensionless)'); LEGEND_CONSTANTS(:,45) = strpad('Kph in component e_ph (dimensionless)'); LEGEND_RATES(:,1) = strpad('d/dt r in component r (dimensionless)'); LEGEND_RATES(:,2) = strpad('d/dt c2 in component c2 (dimensionless)'); LEGEND_RATES(:,3) = strpad('d/dt m_3PI in component m_3PI (dimensionless)'); LEGEND_RATES(:,5) = strpad('d/dt m_Ras in component m_Ras (dimensionless)'); LEGEND_RATES(:,6) = strpad('d/dt x1 in component x1 (dimensionless)'); LEGEND_RATES(:,8) = strpad('d/dt x2 in component x2 (dimensionless)'); LEGEND_RATES(:,7) = strpad('d/dt y in component y (dimensionless)'); LEGEND_RATES(:,9) = strpad('d/dt ypp in component ypp (dimensionless)'); LEGEND_RATES(:,10) = strpad('d/dt z in component z (dimensionless)'); LEGEND_RATES(:,11) = strpad('d/dt zpp in component zpp (dimensionless)'); LEGEND_RATES(:,4) = strpad('d/dt f_GEF in component f_GEF (dimensionless)'); LEGEND_RATES(:,13) = strpad('d/dt w in component w (dimensionless)'); LEGEND_RATES(:,12) = strpad('d/dt e_ph in component e_ph (dimensionless)'); LEGEND_STATES = LEGEND_STATES'; LEGEND_ALGEBRAIC = LEGEND_ALGEBRAIC'; LEGEND_RATES = LEGEND_RATES'; LEGEND_CONSTANTS = LEGEND_CONSTANTS'; end function [STATES, CONSTANTS] = initConsts() VOI = 0; CONSTANTS = []; STATES = []; ALGEBRAIC = []; STATES(:,1) = 0.5; STATES(:,2) = 0.0; CONSTANTS(:,1) = 1.0; CONSTANTS(:,2) = 0.005; CONSTANTS(:,3) = 0.3; CONSTANTS(:,4) = 0.07; CONSTANTS(:,5) = 1.5; CONSTANTS(:,6) = 0.2; CONSTANTS(:,7) = 0.3; CONSTANTS(:,8) = 80.0; STATES(:,3) = 0.0; CONSTANTS(:,9) = 1.0; CONSTANTS(:,10) = 495.0; CONSTANTS(:,11) = 5.09; STATES(:,4) = 1.0; STATES(:,5) = 0.0; CONSTANTS(:,12) = 1.0; CONSTANTS(:,13) = 0.1; STATES(:,6) = 0.0; CONSTANTS(:,14) = 0.745; CONSTANTS(:,15) = 30.3; CONSTANTS(:,16) = 45.5; STATES(:,7) = 1.0; STATES(:,8) = 0.0; CONSTANTS(:,17) = 2.85; CONSTANTS(:,18) = 6.77; CONSTANTS(:,19) = 21.6; CONSTANTS(:,20) = 15.7; CONSTANTS(:,21) = 4.40; CONSTANTS(:,22) = 44.0; CONSTANTS(:,23) = 12.7; CONSTANTS(:,24) = 1.18; CONSTANTS(:,25) = 0.405; STATES(:,9) = 0.0; CONSTANTS(:,26) = 6.77; CONSTANTS(:,27) = 31.9; CONSTANTS(:,28) = 8.81; CONSTANTS(:,29) = 4.71; CONSTANTS(:,30) = 2.41; STATES(:,10) = 1.0; CONSTANTS(:,31) = 0.451; CONSTANTS(:,32) = 11.8; CONSTANTS(:,33) = 14.0; CONSTANTS(:,34) = 31.5; STATES(:,11) = 0.0; STATES(:,12) = 1.0; CONSTANTS(:,35) = 0.228; CONSTANTS(:,36) = 31.9; CONSTANTS(:,37) = 1.03; CONSTANTS(:,38) = 3.76; CONSTANTS(:,39) = 0.272; CONSTANTS(:,40) = 0.976; STATES(:,13) = 0.0; CONSTANTS(:,41) = 0.0333; CONSTANTS(:,42) = 2.34; CONSTANTS(:,43) = 1.98; CONSTANTS(:,44) = 0.385; CONSTANTS(:,45) = 4.64; if (isempty(STATES)), warning('Initial values for states not set');, end end function [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS) global algebraicVariableCount; statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; ALGEBRAIC = zeros(1, algebraicVariableCount); utilOnes = 1; else statesRowCount = statesSize(1); ALGEBRAIC = zeros(statesRowCount, algebraicVariableCount); RATES = zeros(statesRowCount, statesColumnCount); utilOnes = ones(statesRowCount, 1); end RATES(:,4) = - CONSTANTS(:,40).*( (power(STATES(:,11), CONSTANTS(:,37))./(power(CONSTANTS(:,39), CONSTANTS(:,37))+power(STATES(:,11), CONSTANTS(:,37)))).*STATES(:,4) - (1.00000./CONSTANTS(:,38)).*(1.00000 - STATES(:,4))); RATES(:,13) = CONSTANTS(:,41).*(STATES(:,11) - STATES(:,13)); RATES(:,12) = CONSTANTS(:,42).*(power(STATES(:,13), CONSTANTS(:,43))./(power(CONSTANTS(:,44), CONSTANTS(:,43))+power(STATES(:,13), CONSTANTS(:,43))) - (1.00000./CONSTANTS(:,45)).*(STATES(:,12) - 1.00000)); ALGEBRAIC(:,1) = ( CONSTANTS(:,1).*STATES(:,1))./CONSTANTS(:,5); RATES(:,1) = power(1.00000+CONSTANTS(:,1)./CONSTANTS(:,5), -1.00000).*( CONSTANTS(:,2).*(1.00000 - (STATES(:,1)+ALGEBRAIC(:,1)))+ 2.00000.*( CONSTANTS(:,4).*STATES(:,2) - CONSTANTS(:,3).*power(ALGEBRAIC(:,1), 2.00000))); RATES(:,2) = CONSTANTS(:,3).*power(ALGEBRAIC(:,1), 2.00000) - (CONSTANTS(:,4)+CONSTANTS(:,6)).*STATES(:,2); ALGEBRAIC(:,2) = ((1.00000+CONSTANTS(:,7)+ 2.00000.*CONSTANTS(:,8).*STATES(:,2)) - power(power(1.00000+CONSTANTS(:,7)+ 2.00000.*CONSTANTS(:,8).*STATES(:,2), 2.00000), 1.0 ./ 2))./2.00000; RATES(:,3) = CONSTANTS(:,9).*(ALGEBRAIC(:,2) - STATES(:,3)); ALGEBRAIC(:,3) = (( CONSTANTS(:,10).*STATES(:,2)+ CONSTANTS(:,11).*STATES(:,3))./(1.00000+ CONSTANTS(:,10).*STATES(:,2)+ CONSTANTS(:,11).*STATES(:,3))).*STATES(:,4); RATES(:,5) = CONSTANTS(:,12).*( (1.00000+CONSTANTS(:,13)).*ALGEBRAIC(:,3) - (1.00000+ CONSTANTS(:,13).*ALGEBRAIC(:,3)).*STATES(:,5)); ALGEBRAIC(:,4) = 1.00000 - (STATES(:,7)+STATES(:,9)); RATES(:,6) = CONSTANTS(:,14).*(STATES(:,5) - STATES(:,6)./(1.00000+STATES(:,7)./CONSTANTS(:,15)+ALGEBRAIC(:,4)./CONSTANTS(:,16))); RATES(:,8) = CONSTANTS(:,17).*(( (1.00000+CONSTANTS(:,18)).*STATES(:,3))./(1.00000+ CONSTANTS(:,18).*STATES(:,3)) - STATES(:,8)./(1.00000+STATES(:,7)./CONSTANTS(:,19)+ALGEBRAIC(:,4)./CONSTANTS(:,20))); RATES(:,7) = ( CONSTANTS(:,21).*ALGEBRAIC(:,4))./(1.00000+ALGEBRAIC(:,4)./CONSTANTS(:,22)+STATES(:,9)./CONSTANTS(:,23)) - (( CONSTANTS(:,24).*STATES(:,6).*STATES(:,7))./(1.00000+STATES(:,7)./CONSTANTS(:,15)+ALGEBRAIC(:,4)./CONSTANTS(:,16))+( CONSTANTS(:,25).*STATES(:,8).*STATES(:,7))./(1.00000+STATES(:,7)./CONSTANTS(:,19)+ALGEBRAIC(:,4)./CONSTANTS(:,20))); ALGEBRAIC(:,5) = 1.00000 - (STATES(:,10)+STATES(:,11)); RATES(:,9) = (( CONSTANTS(:,29).*STATES(:,6).*ALGEBRAIC(:,4))./(1.00000+STATES(:,7)./CONSTANTS(:,15)+ALGEBRAIC(:,4)./CONSTANTS(:,16))+( CONSTANTS(:,30).*STATES(:,8).*ALGEBRAIC(:,4))./(1.00000+STATES(:,7)./CONSTANTS(:,19)+ALGEBRAIC(:,4)./CONSTANTS(:,20))) - (( CONSTANTS(:,26).*STATES(:,9))./( (1.00000+STATES(:,10)./CONSTANTS(:,27)+ALGEBRAIC(:,5)./CONSTANTS(:,16)).*(1.00000+ALGEBRAIC(:,4)./CONSTANTS(:,22))+STATES(:,9)./CONSTANTS(:,23))); RATES(:,10) = ( CONSTANTS(:,31).*STATES(:,12).*ALGEBRAIC(:,5))./(1.00000+ALGEBRAIC(:,5)./CONSTANTS(:,33)+STATES(:,11)./CONSTANTS(:,34)) - ( CONSTANTS(:,32).*STATES(:,9))./(1.00000+STATES(:,10)./CONSTANTS(:,27)+ALGEBRAIC(:,5)./CONSTANTS(:,28)); RATES(:,11) = ( CONSTANTS(:,36).*ALGEBRAIC(:,5))./(1.00000+STATES(:,10)./CONSTANTS(:,27)+ALGEBRAIC(:,5)./CONSTANTS(:,28)) - ( CONSTANTS(:,35).*STATES(:,12).*STATES(:,11))./(1.00000+ALGEBRAIC(:,5)./CONSTANTS(:,33)+STATES(:,11)./CONSTANTS(:,34)); RATES = RATES'; end % Calculate algebraic variables function ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI) statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; utilOnes = 1; else statesRowCount = statesSize(1); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = ( CONSTANTS(:,1).*STATES(:,1))./CONSTANTS(:,5); ALGEBRAIC(:,2) = ((1.00000+CONSTANTS(:,7)+ 2.00000.*CONSTANTS(:,8).*STATES(:,2)) - power(power(1.00000+CONSTANTS(:,7)+ 2.00000.*CONSTANTS(:,8).*STATES(:,2), 2.00000), 1.0 ./ 2))./2.00000; ALGEBRAIC(:,3) = (( CONSTANTS(:,10).*STATES(:,2)+ CONSTANTS(:,11).*STATES(:,3))./(1.00000+ CONSTANTS(:,10).*STATES(:,2)+ CONSTANTS(:,11).*STATES(:,3))).*STATES(:,4); ALGEBRAIC(:,4) = 1.00000 - (STATES(:,7)+STATES(:,9)); ALGEBRAIC(:,5) = 1.00000 - (STATES(:,10)+STATES(:,11)); end % Pad out or shorten strings to a set length function strout = strpad(strin) req_length = 160; insize = size(strin,2); if insize > req_length strout = strin(1:req_length); else strout = [strin, blanks(req_length - insize)]; end end