ASBT LB Analysis Scripts
Scripts used for analysis of MD simulation data of L. Biflexa ASBT (MD simulation files: https://osf.io/8rxzc/overview)
Script summaries:
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contacts.ipynb: calculates protein-DCA and lipid-DCA contact interactions given cutoff values
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contacts_plot.ipynb: Plots contact data generated by contacts.ipynb
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density.ipynb: Calculates density maps in .dx format
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domain_shifts.ipynb: Calculates and plots relative shifts in panel, core and membrane COMs
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prolif_fingerprint.ipynb: Calculates DCA ProLIF interaction fingerprint
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prolif_fingerprint_plot.ipynb: Plots interaction fingerprint data over repeats