I am trying to use SimBiology to fit a simple model of receptor binding, consisting of a ligand, a receptor, and a complex. The reaction uses reversible mass action kinetics. I can fit this system to time course data, but have not been able to figure out how to use steady state data to find the forward and reverse kinetic rate constants. For example, the data I am trying to fit can be simulated by the following table:
Ligand concentration (nM) | Resulting complex concentration (normalized) 0.01 | 0.01 0.03 | 0.05 0.20 | 0.15 1.00 | 0.35 3.00 | 0.70 11.0 | 0.85 110 | 1.00
I have tried to estimate parameters by having a bolus of ligand "injected" and then some (long) time later reporting the normalized complex concentration. However, this results in values which do not return the initial logistic curve. I would prefer to use SimBiology Desktop as I am new to the program, but I am willing to learn how to program a model in the workspace. Any help or tips would be appreciated. Thank you!
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