Fit enzyme kinetics data and rank models.

INSTALLATION
Download the Enzyme Kinetics.opx, and then drag-and-drop onto Origin workspace. An icon will appear in the Apps Gallery window.
NOTE: This tool requires OriginPro.

Sample OPJ File

This App ships with a sample OPJ file. In the Apps Gallery, right-click on the Enzyme Kinetics icon and select Show Samples Folder. Drag and drop Enzyme Kinetics Sample.opj  onto Origin to open the project.
Note: If you want to save the OPJ after changing it, it is best to save to a different location (e.g. save to your User Files Folder).

OPERATION

1. Click on the Enzyme Kinetics icon. A dialog will be open that lets you specify the worksheet structure for input data.
   In the dialog, choose Number of Independent Variables according to your data and fitting function.
   In Independent Variable branch, specify Name, Units, Measurements and Replicates for each independent variable.
   In Dependent Variable branch, specify Name and Units for the dependent variable. 
   There can be multiple measurements for each independent variable, and multiple replicates for each measurement.
   Units, Measurements and Replicates can be customized in the combo box.
   Click OK button. A worksheet template with the specified settings will be created.
2. Enter data in the worksheet.
   Fill first X column with data of the first independent variable. If multiple measurements for the first independent variable are defined, multiple X columns need to be filled. If there are 2 independent variables, specify the value for the second independent variable of each group of Y data in its column header Indep2 Value.  Fill each Y column with data for the dependent variable.

   

3. Click the upper-left button Fit Model in the worksheet, to open the dialog for fitting.
   Choose the reaction and the study type.
   In Analysis branch,  select fitting functions in Models to Fit list, choose a method in Compare Models by drop-down list to rank models, methods include R-Square (COD), Sy.x, and AICc.
   If there are 2 independent variables, choose 1st Independent Variable for the fitting function from the drop-down list, make sure the 1st Independent variable here must be consistent with the worksheet's data settings, and 2nd Independent Variable will be updated automatically in the dialog.
   Available models for enzyme kinetics analysis:

   Reaction	Study	Model	Independent Variables
   One Substrate	Absence of Inhibitor	Michaelis Menten	Substrate
   		Substrate Activation (Ordered)	Substrate
   		Substrate Activation (Random)	Substrate
   		Hill	Substrate
   		Isozyme	Substrate
   	Reversible Inhibition	Complete Competitive inhibition	Substrate, Inhibitor
   		Complete Non-competitive inhibition	Substrate, Inhibitor
   		Complete Non-competitive mixed inhibition	Substrate, Inhibitor
   		Complete Un-competitive inhibition	Substrate, Inhibitor
   		Partial Competitive inhibition	Substrate, Inhibitor
   		Partial Non-competitive inhibition	Substrate, Inhibitor
   		Partial Non-competitive mixed inhibition	Substrate, Inhibitor
   		Partial Un-competitive inhibition	Substrate, Inhibitor
   	Tight Binding Inhibition	Competitive inhibition	Substrate, Inhibitor
   		Noncompetitive inhibition	Substrate, Inhibitor
   		Uncompetitive inhibition	Substrate, Inhibitor
   		Mixed inhibition	Substrate, Inhibitor
   	Nonessential Activator	Nonessential Activation	Substrate, Activator
   	Substrate-activator (SA) complex	Specific	Substrate, Activator
   		Catalytic	Substrate, Activator
   		Mixed	Substrate, Activator
   Two Substrates	Two Substrates	Sequential Random bi-bi Mechanism	Substrate A, Substrate B
   		Sequential Ordered bi-bi Mechanism	Substrate A, Substrate B
   		Non-sequential Ping Pong bi-bi Mechanism	Substrate A, Substrate B
   Others	pH Activity Profile	pKa Rise	pH
   		pKa Fall	pH
   		pKa With Offset	pH
   		Bell Shaped	pH
   		Bell Shaped With Plateau	pH
   		Plateau Shaped	pH
   	First Order Rate	First Order	Time
   		First Order with Offset	Time
   	Chemical Denaturation	Chemical Denaturation	Denaturant
   	Thermal Denaturation	Thermal Denaturation	Temperature
   	Exponential Delay	Single Exponential	Time
   		Single Exponential + Offset	Time
   		Double Exponential	Time
   		Double Exponential + Offset	Time
   	Linear Regression	Linear Regression	X

4. Click OK button. A report sheet and a report data sheet will be created which include fitted results and the ranking models result.

NOTES

1. If replicate data are stacked in a column, choose 1 in the Replicates combo box.
2. The report sheet contains a Model Information table, which shows fdf file names for fitting functions in the analysis.
   If you want to modify some fitting functions, (e.g. you may think default initial values for some functions are not good enough) 
   you can change them by choosing the function from the Enzyme Kinetics category in the Fitting Function Organizer dialog or Fitting Function Builder dialog. 
   You can also choose the fitting function in the built-in Nonlinear Curve Fit tool to perform fitting manually.

v1.1 FDF files for Sequential Random bi-bi Mechanism updated.