pi Eugen Hruška Principal InvestigatorClick to show CV. current Przemysław Grenda Quantitative prediction of reaction mechanismsHigh-throughput simulationPh.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
