MS-Protein-Adduct-Identification

Identification of protein adducts in deconvoluted mass spectrometry data by matching experimental peak distributions with potential isotope patterns. Here is the corresponding paper.

Getting Started

To access the web app, run the src/app.py file.

python src/app.py

Otherwise, the search can be run directly using src/binding_site_search.py (changing file directories accordingly).

python src/binding_site_search.py

Note that deconvoluted spectrum will be required as input (for the bound MS csv file).

Built With

• HTML/JS/CSS
• Flask
• PyOpenMS
• OR-Tools
• SimilarityMeasures

Contact Information

If you encounter any problems in using the code, please open an issue in this repository.