begin parameters L0 200 # Number of ligand molecules R0 200 # Number of receptor molecules A0 50 # Number of adaptor molecules kp1 0.01 # Ligand-receptor association km1 1 # Ligand-receptor dissociation kp2 1 # Dimer formation km2 1 # Dimer dissociation p1 10 # Receptor transphosphorylation d1 5 # Receptor dephosphorylation kpA 0.1 # Adaptor-receptor association kmA 0.1 # Adaptor-receptor dissociation p2 10 # Adaptor transphosphorylation d2 5 # Adaptor dephosphorylation end parameters begin molecule types L(r) R(l,d,Y~U~P) A(SH2,Y~U~P) end molecule types begin seed species L(r) L0 R(l,d,Y~U) R0 A(SH2,Y~U) A0 end seed species begin observables Molecules R_dim R(d!+) Molecules R_phos R(Y~P!?) Molecules A_R A(SH2!1).R(Y~P!1) Molecules A_phos A(Y~P!?) Molecules A_tot A() # Total of A end observables begin reaction rules # Ligand-receptor binding L(r) + R(l,d) <-> L(r!1).R(l!1,d) kp1, km1 # Receptor aggregation R(l!+,d) + R(l!+,d) <-> \ R(l!+,d!2).R(l!+,d!2) kp2, km2 # Receptor transphosphorylation R(d!+,Y~U) -> R(d!+,Y~P) p1 # Receptor dephosphorylation R(Y~P) -> R(Y~U) d1 # Adaptor association R(Y~P) + A(SH2) <-> R(Y~P!1).A(SH2!1) kpA, kmA # Adaptor transphosphorylation A(Y~U).A() -> A(Y~P).A() p2 # Adaptor dephosphorylation A(Y~P) -> A(Y~U) d2 end reaction rules generate_network({overwrite=>1}); writeSBML(); simulate_ode({suffix=>ode,t_end=>5,n_steps=>50}); #simulate_ssa({suffix=>ssa,t_end=>5,n_steps=>50});