uSTA

Software for analysing saturation transfer difference NMR data. The uSTA workflow takes FIDs, processes the data (using nmrPipe), and runs the in-built unidecNMR peak picker on the data and creates a heat map showing the ligand binding pose in the complex. Combined with data varying the protein/ligand concentration and ratio, an analysis routine is provided that returns Kds/Kon/Koff via Bloch-McConnell matrix analysis.

The manuscript is here 
https://www.science.org/doi/10.1126/science.abm3125

Download the software
HERE.