EPFL SB ISIC LCBC
BCH 4121 (Batochime UNIL)
Av. François-Alphonse Forel 3
Web site: Web site: https://lcbc.epfl.ch
My research focuses on the modelling of metal-based drugs interacting with systems of biochemical interest, using multiscale simulation techniques. In particular, I mainly make use of a hybrid mixed quantum mechanical-molecular mechanical (QM/MM) approach to overcome the limitations of classical force field based molecular dynamics simulations in accurately treating covalently-binding ligands and metal species.