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Thuy Bao Tran Tran committed Jun 28, 2024
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12 changes: 6 additions & 6 deletions asset-manifest.json
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{
"files": {
"main.css": "/SimBioUI/static/css/main.b43e400a.css",
"main.js": "/SimBioUI/static/js/main.3058bd7e.js",
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}
27 changes: 27 additions & 0 deletions examples-models/enzyme-catalyzed-three-step-pathway.txt
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// A simple three step pathway using
// Michaelis-Menten kinetics.

// Reactions:
J0: $Node0 -> Node1; (J0_Vmax/J0_Km1)*(Node0 - Node1/J0_Keq)/(1 + Node0/J0_Km1 + Node1/J0_Km2);
J1: Node1 -> Node2; (J1_Vmax/J1_Km1)*(Node1 - Node2/J1_Keq)/(1 + Node1/J1_Km1 + Node2/J1_Km2);
J2: Node2 -> $Node3; (J2_Vmax/J2_Km1)*(Node2 - Node3/J2_Keq)/(1 + Node2/J2_Km1 + Node3/J2_Km2);

// Species initializations:
Node1 = 0;
Node2 = 0;
Node0 = 10;
Node3 = 0;

// Variable initializations:
J0_Vmax = 1;
J0_Km1 = 0.4;
J0_Keq = 1;
J0_Km2 = 1;
J1_Vmax = 1;
J1_Km1 = 0.8;
J1_Keq = 1.5;
J1_Km2 = 1;
J2_Vmax = 1;
J2_Km1 = 0.232;
J2_Keq = 1.6;
J2_Km2 = 1;
108 changes: 108 additions & 0 deletions examples-models/example-large-model.txt
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Châu Quỳnh Phan
// This is a randomly generated model that
// uses simple mass-action kinetics

// Reactions
J0: S15 -> $S17; E0*(k0*S15 - k0r*S17)
J1: S3 -> S0 + S12; E1*(k1*S3 - k1r*S0*S12)
J2: $S10 -> S8; E2*(k2*S10 - k2r*S8)
J3: S9 -> S8 + S13; E3*(k3*S9 - k3r*S8*S13)
J4: $S10 + S2 -> $S17; E4*(k4*S10*S2 - k4r*S17)
J5: $S1 + S0 -> $S4; E5*(k5*S1*S0 - k5r*S4)
J6: S5 -> $S14 + S9; E6*(k6*S5 - k6r*S14*S9)
J7: S18 + S12 -> S5; E7*(k7*S18*S12 - k7r*S5)
J8: $S7 + S16 -> S2; E8*(k8*S7*S16 - k8r*S2)
J9: S6 -> S5 + S0; E9*(k9*S6 - k9r*S5*S0)
J10: $S10 + S19 -> S5; E10*(k10*S10*S19 - k10r*S5)
J11: S8 -> S18; E11*(k11*S8 - k11r*S18)
J12: S6 -> S13 + S16; E12*(k12*S6 - k12r*S13*S16)
J13: S2 + S15 -> S6 + S9; E13*(k13*S2*S15 - k13r*S6*S9)
J14: S3 -> S13; E14*(k14*S3 - k14r*S13)
J15: S13 -> S5; E15*(k15*S13 - k15r*S5)
J16: S3 -> S19; E16*(k16*S3 - k16r*S19)
J17: S0 -> S3 + S15; E17*(k17*S0 - k17r*S3*S15)
J18: S3 -> $S14 + $S17; E18*(k18*S3 - k18r*S14*S17)
J19: $S7 + $S1 -> $S11; E19*(k19*S7*S1 - k19r*S11)

// Species initializations
S0 = 5
S2 = 2
S3 = 3
S5 = 1
S6 = 3
S8 = 2
S9 = 5
S12 = 1
S13 = 4
S15 = 6
S16 = 6
S18 = 3
S19 = 4
S1 = 4
S4 = 4
S7 = 3
S10 = 6
S11 = 2
S14 = 1
S17 = 1
// Variable initializations
E0 = 1;
k0 = 0.828420614
k0r = 0.69125685
E1 = 1;
k1 = 0.708821521
k1r = 0.63838456
E2 = 1;
k2 = 0.118288544
k2r = 0.21911200
E3 = 1;
k3 = 0.249635736
k3r = 0.64338269
E4 = 1;
k4 = 0.148271098
k4r = 0.88154458
E5 = 1;
k5 = 0.9772751915
k5r = 0.344055979
E6 = 1;
k6 = 0.754618665
k6r = 0.68985893
E7 = 1;
k7 = 0.92086958
k7r = 0.9789804
E8 = 1;
k8 = 0.4925311695
k8r = 0.032997413
E9 = 1;
k9 = 0.80320391
k9r = 0.0041010
E10 = 1;
k10 = 0.05353786
k10r = 0.1268534
E11 = 1;
k11 = 0.1727146
k11r = 0.367270
E12 = 1;
k12 = 0.4561613
k12r = 0.247974
E13 = 1;
k13 = 0.20598231
k13r = 0.709211
E14 = 1;
k14 = 0.57478598
k14r = 0.2114866
E15 = 1;
k15 = 0.70746493
k15r = 0.7310762
E16 = 1;
k16 = 0.783348675
k16r = 0.78463660
E17 = 1;
k17 = 0.973314149
k17r = 0.58769631
E18 = 1;
k18 = 0.98747636
k18r = 0.9768005
E19 = 1;
k19 = 0.767613157
k19r = 0.85874833
25 changes: 25 additions & 0 deletions examples-models/feedback-oscillator-model.txt
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// A negative-feeback oscillator
// I think this orginally came from a
// model by Athel Cornish-Bowden

// Reactions:
J0: $X0 => S1; VM1*(X0 - S1/Keq1)/(1 + X0 + S1 + S4^h)
J1: S1 => S2; (10*S1 - 2*S2)/(1 + S1 + S2)
J2: S2 => S3; (10*S2 - 2*S3)/(1 + S2 + S3)
J3: S3 => S4; (10*S3 - 2*S4)/(1 + S3 + S4)
J4: S4 => $X1; V4*S4/(KS4 + S4)

// Species initializations:
S1 = 0
S2 = 0
S3 = 0
S4 = 0
X0 = 10
X1 = 0

// Variable initializations:
VM1 = 10
Keq1 = 10
h = 10
V4 = 2.5
KS4 = 0.5
58 changes: 58 additions & 0 deletions examples-models/files.json
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[
{
"original": "enzyme-catalyzed-three-step-pathway.txt",
"formatted": "Enzyme Catalyzed Three Step Pathway"
},
{
"original": "example-large-model.txt",
"formatted": "Example Large Model"
},
{
"original": "feedback-oscillator-model.txt",
"formatted": "Feedback Oscillator Model"
},
{
"original": "files.json",
"formatted": "Files"
},
{
"original": "jana-wolf-glycolytic-model.txt",
"formatted": "Jana Wolf Glycolytic Model"
},
{
"original": "lorenz-attractor.txt",
"formatted": "Lorenz Attractor"
},
{
"original": "relaxation-oscillator:-from-heinrich-1997-review.txt",
"formatted": "Relaxation Oscillator: From Heinrich 1997 Review"
},
{
"original": "simple-bistable-model.txt",
"formatted": "Simple Bistable Model"
},
{
"original": "simple-three-step-pathway.txt",
"formatted": "Simple Three Step Pathway"
},
{
"original": "smallest-bistable-model:-thomas-wilhelm.txt",
"formatted": "Smallest Bistable Model: Thomas Wilhelm"
},
{
"original": "smallest-hopf-model:-wilhelm-and-heinrich.txt",
"formatted": "Smallest Hopf Model: Wilhelm And Heinrich"
},
{
"original": "tau-doyle-integral-controller.txt",
"formatted": "Tau Doyle Integral Controller"
},
{
"original": "twenty-step-mass-action-pathway.txt",
"formatted": "Twenty Step Mass Action Pathway"
},
{
"original": "two-moiety-converved-cycle-model.txt",
"formatted": "Two Moiety Converved Cycle Model"
}
]
71 changes: 71 additions & 0 deletions examples-models/jana-wolf-glycolytic-model.txt
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// Jana_WolfGlycolysis
// Effect of cellular interaction on glycolytic oscillations
// in yeast: a theoretical investigation.
// Wolf J, Heinrich R.
// Biochem. J. 2000 Jan; 345 Pt 2: 321-334

// Species
species Glucose, fructose_1_6_bisphosphate;
species glyceraldehyde_3_phosphate, glycerate_3_phosphate;
species pyruvate, Acetyladehyde, External_acetaldehyde;
species ATP, ADP, NAD, NADH;
species External_glucose, ethanol, Glycerol;
species Sink;

// Reactions
J0: $External_glucose => Glucose; J0_inputFlux;
J1: Glucose + 2 ATP => fructose_1_6_bisphosphate + 2 ADP; J1_k1*Glucose*ATP*(1/(1 + (ATP/J1_Ki)^J1_n));
J2: fructose_1_6_bisphosphate => glyceraldehyde_3_phosphate + glyceraldehyde_3_phosphate; J2_J2_k*fructose_1_6_bisphosphate;
J3: glyceraldehyde_3_phosphate + NADH => NAD + $Glycerol; J3_J3_k*glyceraldehyde_3_phosphate*NADH;
J4: glyceraldehyde_3_phosphate + ADP + NAD => ATP + glycerate_3_phosphate + NADH; (J4_kg*J4_kp*glyceraldehyde_3_phosphate*NAD*ADP - J4_ka*J4_kk*glycerate_3_phosphate*ATP*NADH)/(J4_ka*NADH + J4_kp*ADP);
J5: glycerate_3_phosphate + ADP => ATP + pyruvate; J5_J5_k*glycerate_3_phosphate*ADP;
J6: pyruvate => Acetyladehyde; J6_J6_k*pyruvate;
J7: Acetyladehyde + NADH => NAD + $ethanol; J7_J7_k*Acetyladehyde*NADH;
J8: Acetyladehyde => External_acetaldehyde; J8_J8_k1*Acetyladehyde - J8_J8_k2*External_acetaldehyde;
J9: ATP => ADP; J9_J9_k*ATP;
J10: External_acetaldehyde => $Sink; J10_J10_k*External_acetaldehyde;

// Species initializations
Glucose = 0;
fructose_1_6_bisphosphate = 0;
glyceraldehyde_3_phosphate = 0;
glycerate_3_phosphate = 0;
pyruvate = 0;
Acetyladehyde = 0;
External_acetaldehyde = 0;
ATP = 3;
ADP = 1;
NAD = 0.5;
NADH = 0.5;
External_glucose = 0;
ethanol = 0;
Glycerol = 0;
Sink = 0;

// Variable initializations
J0_inputFlux = 50;
J1_k1 = 550;
J1_Ki = 1;
J1_n = 4;
J2_J2_k = 9.8;
J3_J3_k = 85.7;
J4_kg = 323.8;
J4_kp = 76411.1;
J4_ka = 57823.1;
J4_kk = 23.7;
J5_J5_k = 80;
J6_J6_k = 9.7;
J7_J7_k = 2000;
J8_J8_k1 = 375;
J8_J8_k2 = 375;
J9_J9_k = 28;
J10_J10_k = 80;
J2_k = 9.8;
J3_k = 85.7;
J5_k = 80;
J6_k = 9.7;
J7_k = 2000;
J8_k1 = 375;
J8_k2 = 375;
J9_k = 28;
J10_k = 80;
17 changes: 17 additions & 0 deletions examples-models/lorenz-attractor.txt
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// Example of solving ODEs using
// using the Lorenz attractor
// See https://en.wikipedia.org/wiki/Lorenz_system

-> u; -sigma*(u - v);
-> v; rho*u - v - u*w;
-> w; -beta*w + u*v;

// Variable initializations
u = 0
v = 1
w = 1.05

// Parameter initializations
sigma = 10
rho = 28
beta = 2.667
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// Oscillator (Heinrich model)
// From the review:
// Metabolic Regulation and Mathematical Models
// R.HEINRICH, S.M.RAPOPORT, T.A.RAPOPORT
// In Progress in Biophysics and Molecular Biology
// 1977, Vol 32, p1-82

// Reactions:
J0: $X0 -> S1; v0
J1: S1 -> ; k3*S1
J2: S1 -> S2; (k1*S1 - k_1*S2)*(1 + c*S2^q)
J3: S2 ->; k2*S2

// Species initializations
S1 = 0; S2 = 1; X0 = 1

// Variable initializations
v0 = 8; k3 = 0
k1 = 1; k_1 = 0
c = 1; q = 3
k2 = 5;
17 changes: 17 additions & 0 deletions examples-models/simple-bistable-model.txt
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// Simple bistable model (non-mass-action)

// Set S1 to 0 or S1 to 10 to observe the two stable states
// To find the unstable state, set S1 = 3.4863321029603696
// To examine the stabilty, change to the steady-state tab
// and observe the eigenvalues (+ve = unstable)

// Reactions
J0: $X0 -> S1; X0*(32 + (S1/0.75)^3.2)/(1 + (S1/4.3)^3.2)
J1: S1 ->; k1*S1;

// Species initializations
S1 = 0
X0 = 0.1

// Parameter initialization
k1 = 3.2
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