- Molecular Visualization using VMD (Visual Molecular Dynamics)
VMD tutorial
- COMBINE
COMBINE analysis to derive protein structure-based QSARs (June 3-4, 2002)
- GRID
GRID for structure-based drug design (June 3-4, 2002)
- UHBD
UHBD to compute electrostatic binding free energy (June 3-4, 2002)
- 3DFS
3DFS to do a flexible ligand pharmacophore search (June 3-4, 2002)
- tau-RAMD
tau-RAMD tutorial: Fast estimation of drug residence times (Daria Kokh & Rebecca Wade, 2020 MolSSI School on “Open Source Software for Rare Event Sampling Strategies”, July 15, 2020)
- RASPD+
RASPD+ tutorial: Fast protein-ligand binding free energy prediction using machine learning and its applications to SARS-CoV-2 targets (including introduction to machine learning methods) (Goutam Mukherjee, Drug Discovery Hackathon 2020 workshop”, August 18, 2020)