Groups | Dept. Gräter

Our research group is dedicated to advancing machine learning methods and models to predict molecular properties and simulate chemical reactions accurately and efficiently. We develop models that can address a wide range of systems, including reactive processes and biological molecules. [more]

Our goal is to decipher the mechanisms by which macro-bio-molecules interact with each other to carry out their functions in response to external stimuli. Computer simulations at different levels of resolution and complexity are carried out to achieve this goal. [more]

My group investigates redox and free radical reactions of biomolecules in vitro and living cells. 
We aim to understand cellular redox and free radical control mechanisms. Currently, we investigate the role of poly-sulfur as a basis of cellular redox and free radical control mechanisms. [more]