This repository holds the raw data and code for reproducing the results and figures of paper
Harnessing protein folding neural networks for peptide-protein docking
by Tomer Tsaban, Julia Varga, Orly Avraham, Ziv Ben-Aharon, Alisa Khramushin, and Ora Schueler-Furman
XXXX journal and date
In the paper, AlphaFold2 was evaluated for peptide-protein docking, on the basis that peptide-protein docking can be seen as a complementing step to protein folding.
The structure of the directory is the following:
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|_ Data
|_ Structures: contains all the models generated with AlphaFold2
|_ Source data: all the data used to create the main and supplementary figures in tabular form
|_ Models: all models generated in this study, sorted by dataset and run types
|_ Sup tables: supplementary tables (also provided as suppplementary data in the manuscript)
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|_ Code
|_ Analyses_and_figures: scripts that directly generates plots from the underlying data
|_ Running_and_parsing_jobs: all the scripts that prepare the structures for further analysis (removing linker, superimposition, truncation, etc.)
If you have any question regarding the data and the code, please send an email to: ora.schueler-furman@mail.huji.ac.il
If you use any of these materials, please cite the paper above.