Biomolecular modelling

This course aims to train students in the use of advanced molecular modeling tools applied to biomacromolecules and their ligands. Many applications will be covered to illustrate the concepts studied, ensuring a comprehensive understanding of modern computational approaches in medicinal chemistry.  Various concepts will be covered, including:
- Homology modeling and recalls of molecular dynamics simulations. 
- Molecular docking, pharmacophoric perception and virtual screening
- Chemical database and AI for drug-design
- More complex inhibitors: irreversible or allosteric

M1 in chemistry