Model shows the substrate (NM-Arginine) binding to nNOS in a two-step reversible fashion. First there is rapid binding equilibrium between Im-nNOS and NM-Arginine to form an intermediate that contains bound imidazole and NM-arginine. This is followed by a slower conformational change in the Im-enzyme-substrate complex that is associated with release of bound imidazole and generation of a modified enzyme-substrate complex which is detected due to spectral change. Rates approximated based on data in Table 2. The rates for first reaction are not exact since only Kd known and appropriate graphs do not exist for matching the kinetic profile. % Note: All the concentrations are in micro Mole (uM) function moose_convert %Matlab simulation for chemical kinetics % Saved on Mon May 29 12:14:34 2006 % Automatically generated from kkit model in MOOSE by conv_matlab global buff; global t; global y; % Define Tables here tspan=[0, 0.1]; % Molecule names molnames = { '1 /kinetics/Im-nNOS' '2 /kinetics/Imidazole' '3 /kinetics/NM-Arginine' '4 /kinetics/nNOS-NM-Arginine' '5 /kinetics/Im-nNOS-NM-Arginine' }; bufnames = { }; sumtotnames = { }; % Initial concs of 5 molecules y0(1) = 1; y0(2) = 0; y0(3) = 6000; y0(4) = 0; y0(5) = 0; % Call the ODE solver and display results [t, y] = ode23s(@f, tspan, y0); hold on; do_plots; function do_plots() global t; global y; %plot(t,y(:,1)); temp = [t y(:,4)]; save('/home/prasoon/models/nNOS/Files_to_upload/NM_Arg_new/matlab_genesis_plots/new_test29/nNOS_Nm_Arg_mat.plot','temp','-ASCII'); %plot(t,y(:,5)); %plot(t,y(:,3)); %plot(t,y(:,2)); %plot(t,y(:,4)); % Evaluation function function dydt = f(t, y) global buff; dydt = [ - 25 * y(3) * y(1) + 42500 * y(5) + 27 * y(5) - 0.2 * y(4) * y(2) - 25 * y(3) * y(1) + 42500 * y(5) + 27 * y(5) - 0.2 * y(4) * y(2) + 25 * y(3) * y(1) - 42500 * y(5) - 27 * y(5) + 0.2 * y(4) * y(2) ]; % end of model