Disputation von Kai Normen Sommer am 13.09.2019, 11:00 Uhr, ZBH Raum 16

13. September 2019, von Reinhard Zierke

Einladung zur hochschulöffentlichen Disputation von
Herrn Kai Normen Sommer

Titel der Dissertation:
Structure-based synthesis planning: An integrative approach into an interactive, user-focused design cycle

Abstract:
The structure-based drug design cycle is guided by computational tools that assist researchers in finding novel drug candidates. User intervention to guide the algorithm is mostly not possible. The thesis focuses on two main problems: 1) exploring the conformational space of molecules within a protein binding site and user-defined constraints and 2) guiding structural optimization to readily synthesizable compounds. A novel algorithm for constrained conformational search is combined with machine-readable synthetic reaction rules enabling synthetic accessible fragment growing.

Datum und Uhrzeit: Freitag, 13 September 2019 um 11:00 Uhr
Ort: ZBH, Bundesstraße 30, Raum 16, 20146 Hamburg
Betreuer: Prof. Dr. Matthias Rarey

Prof. Dr. Matthias Rarey
Vorsitzender des Fach-Promotionsausschusses Informatik