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Isomerization of the receptor in both free and bound states. Both states are capable of binding a ligand.

U-R-RL_model.pdf

This is the model for the ligand-induced population shift. We may think of, say, R* being a major conformer yet less capable of binding ligand. Then RL complex will be more populated in the bound state than R*L. Thus adding a ligand we induce a shift in R-R* isomerization equilibrium.

Location: U_R_RL

Contents

• Case 1: Reduce the system to R+L=RL or R*+L=R*L (removing isomerization eqiulibria)
• Case 2: Ligand binding induces population shift
• Conclusions

Case 1: Reduce the system to R+L=RL or R*+L=R*L (removing isomerization eqiulibria)

By choosing appropriate constants we 'turn off' parts of the model. We choose slow rates to see individual peaks well.

No R* and R*L	No R and RL
Simulate setup_implementation_test U_R_RL_test1	Simulate setup_implementation_test U_R_RL_test2

Conclusion

We are able to remove parts of the model and it behaves as expected.

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Case 2: Ligand binding induces population shift

We want to have R as a major conformer in free receptor while R*L will be major species of the complex.

Simulate setup_implementation_test U_R_RL_test3

It works.

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Conclusions

It works.

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