Enlighten2: molecular dynamics simulations of protein-ligand systems made accessible.

Published in: Bioinformatics (Oxford, England) (2021)

The Enlighten2 Python package and PyMOL plugin are free to use under the GPL3.0 licence and can be found at https://enlighten2.github.io. We also provide a lightweight Docker image via DockerHub that includes Enlighten2 with all the required utilities.

Keyphrases

molecular dynamics simulations
molecular docking
deep learning
protein protein
binding protein
machine learning
amino acid