Lecture and hands-on session by Dr. Mila Krämer from Schrödinger. This video tackles the basic concepts of molecular dynamics simulations and demonstrates how to prepare, run and analyze a protein–ligand system using Desmond. The basic steps to run simulations on CSC's supercomputer Puhti are also outlined. For more details, see CSC's Maestro page at
https://docs.csc.fi/apps/maestro/Note! You can click the magnifying glass in the video to jump to different chapters: