20 May 2020
Frank Noé (Freie Universität Berlin)
Our group works on the molecular scale, at the interface between AI and molecular physics+chemistry. In our Covid19-Project we use simulation and machine learning methods in order to model the molecular structure of one of the Covid19 host proteins, learn what its main structures/states are, and in the next stage develop pharmacological inhibitors. The application / treatment strategy and the ML methods and their challenges will be briefly summarized in this presentation.