Mechanical Couplings of Protein Backbone and Side Chains Exhibit Scale-free Network Properties and Specific Hotspots for Function

Published: 20 September 2021| Version 1 | DOI: 10.17632/mv3tzvgjjz.1
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Description

The zip file contains 1. The spring constant data obtained from structure mechanics statistical learning. 2. Python code for construction of rigidity graphs and their statistical analysis. 3. A demo Jupyter notebook.

Files

Steps to reproduce

A demo Jupyter notebook is presented.

Categories

Graph Theory, Molecular Dynamics, Computational Biology

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