pi Eugen Hruška Principal InvestigatorClick to show CV. current Przemysław Grenda Quantitative prediction of reaction mechanismsPh.D. student Klára Čechmánková Dynamics of ceramides in skin at atomistic scale Jan Kočí Assessment of international drug development Viliam Porvazník Toxicity prediction former Dominik Suwała High-throughput simulation of drug metabolismPh.D. student Lukáš Majer Machine learning of pharmacokinetic properties Martyna Ogos Molecular dynamics stability analysis Anna Podmanická Predicting chemical degradation and metabolism using quantum simulation