A lot of experimental data is available for studying Protein-ligand associations. Such studies are important for drug design and enzyme engineering. Moreover it is very important to study the effect of mutations dynamically. Molecular dynamic simulations are helpful, but it requires a lot of expertise to run them.Thus in an attempt to make the simulations easier for non-expert users, Zinovjev K. et. al.(2020) have developed a software tool called Enlighten2.
The package has been developed in Python. Using this package the users can easily run molecular dynamic simulations. All the tools required are open source and are freely available.The package is available at the following URL: https://enlighten2.github.io.
Reference:
Zinovjev K. et.al. (2020)Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible. Bioinformatics 36(20):5104-5106