Disputation von Sophia Hönig am 03.07.2025, 10:00 Uhr

3. Juli 2025, von Reinhard Zierke

Einladung zur hochschulöffentlichen Disputation im Rahmen des Promotionsverfahrens von Sophia Hönig

Titel der Dissertation: Erzeugung und Auswertung von dreidimensionalen Überlagerungen kleiner Moleküle unter Berücksichtigung kombinatorischer chemischer Räume

Finding small molecules that show bioactivity to a target protein is a primary goal of pharmaceutical research. However, often, no information about the target protein is available. In this scenario, many methods operate based on the superpositions of known active molecules. This thesis focuses on a new and efficient approach to the three-dimensional superposition of small molecules. Combinatorial chemical fragment spaces offer a promising direction for the new shape-based screening routine. A benchmark dataset has been designed to facilitate the evaluation and comparison of methods for small molecule superposition.
The presentation will be given in German.

Datum und Uhrzeit: Donnerstag, 3. Juli 2025 um 10:00 Uhr
Ort: Albert-Einstein-Ring 8-10, Raum 0005/0010
Betreuer: Prof. Dr. Matthias Rarey

Prof. Dr. Matthias Rarey
Vorsitzender des Fachpromotionsausschusses Informatik