SimBiology

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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!

I am trying to fit a three compartmental model in MATLAB. Can anyone kindly tell me how to put bounds (lower bound and upper bound) on estimated parameters while fitting the model ? Thanks a lot and really appreciate your help.

I'm trying to fit parameters with data that contains multiple data points per time point (replicates) using the PK-PD model and the sbionlinfit function. However, I'm having issues understanding exactly what fields I need to specify within the PKData object to specify which columns of data in the dataset object are replicates. There are fields called GroupID, GroupLabel, and GroupNames. What do I need to specify in order to get a fit with replicates? Also, the documentation mentions that the data points are not averaged, but are fitted individually. Am I correct in assuming that this will not mean I will get 3 individual parameter fits for my 3 replicate sets?