- Enseignant-e: Simone Aureli
- Enseignant-e: Raphaël Feser
- Enseignant-e: Yiannis Galdadas
- Enseignant-e: Francesco Luigi Gervasio
- Enseignant-e: Nicola Piasentin
- Enseignant-e: 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.