contact-geometry

Description

Datasets of van der Waals interaction geometry from both protein self-interactions and protein-ligand interactions. We identified van der Waals interactions using PROBE in a set of non-redundant protein structures and a set of protein-ligand structures and categorized them based on various properties. Within each category, we aligned all observed contacts based on amino acid backbone. We analyzed this data in a manuscript that is currently under review and release the data here for broader use.

Steps to reproduce

https://github.com/songlab-cal/contact-geometry

Categories

Licence