3. A GUI plugin for PyMOL that consists of two tabs: "Preparation" and "Dynamics" (Fig. ). The "Preparation" tab allows the user to prepare and relax a protein-ligand model system based on a PyMOL object or a PDB file. The advanced options allow for fine tuning of the preparation protocol (setting size of the sphere, pH of the simulation etc.). The "Dynamics" tab is dedicated to running dynamics of specified duration as well as to management of previously run simulations (including loading trajectories to PyMOL). The user is required to provide a protein-ligand model with hydrogens added to the ligand. When the Enlighten2 plugin is used for the first time, it will automatically instruct Docker to fetch the Docker image, such that the user does not need to install MD software.