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

Instructions for installation on linux/Mac are provided. Any technical inquiries, problems, or suggestions can be addressed to Prof. Andrew Baldwin at andrew.baldwin@chem.ox.ac.uk.

Software ReadMe.pdf

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The Software is distributed "AS IS" under this Licence solely for non-commercial use. If you are interested in using the Software commercially, please contact the technology transfer company of the University, to negotiate a licence. Contact details are: enquiries@innovation.ox.ac.uk

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