Supporting information for the Range et al. paper on MD-Models

The repository is structured as follows:

• Calibration: Contains the code and data for the calibration for calculating the concentration for photometric ABTS measurements.
• EnzymeML_Documents: Contains the EnzymeML Documents for the reaction of ABTS with SLAC. The EnzymeML Documents are used by both the Calibration and Modelling folders.
• Modelling: Contains the code and data for the modelling of the reaction of ABTS with SLAC.
• Figures: Contains the code to recreate the modelling overview figure of the paper.