Structure Preparation / Force Field / Solvation / AMBER / NAMD / Visualization / Player
Setting up a Molecular Dynamics simulation starting from a protein PDB structure can be challenging. It involves: data preparation, force field parameterization, running protocols and trajectory analysis/visualization. MOE provides a streamlined interface which allows for easy setup, execution and visualization of MD trajectories via AMBER, NAMD or the internal MD engine. In this webinar, the complete workflow to run MD simulations will be introduced.