- Trainer/in: Simone Aureli
- Trainer/in: Raphaël Feser
- Trainer/in: Yiannis Galdadas
- Trainer/in: Francesco Luigi Gervasio
- Trainer/in: Nicola Piasentin
- Trainer/in: Valerio Rizzi
The course will give a general overview of modelling and simulation techniques of importance to chemical and pharmaceutical Sciences. It is organised around frontal lectures, flipped classes, and practical work.
- Introduction to molecular dynamics simulations and their use in drug design, biophysics, and chemistry.
- Introduction to free energy calculations. The algorithms will be applied to compute the binding free energy of ligands to their pharmacological targets.