SI: Parameter estimation on multivalent ITC datasets

Uncomment the code in main.py to start the algorithm.

About

This ist the source code of the algorithm used for the paper. The code is written in python 3.7. ITC datasets, saved as EXCEL tables, are extracted and fitted by the common Wiseman algorithm and the proposed Qc fitting.

Data

For the bivalent ITC dataset, see "Man1010Lacetate2.xlsx". For thee trivalent ITC dataset, see "Man1355LLBB25.xlsx"

Saves

Here, the parameters are stored, which were used in the paper. Each parameter is stored in a separate file and kann be imported through numpy.

Src

Contains the source code. Use "main.py" to run the code.