Thorben Schulze

Universität Hamburg
Bundesstraße 43
20146 Hamburg
Room: 201

Computer-Aided Modeling in Crystallographic Drug Discovery
Supervisors: Dr. Alke Meents (DESY), Prof. Matthias Rarey (UHH)

Background: Thorben did his B.Sc. in Bioinformatics and M.Sc. in Informatics at the Universität Hamburg. His Master's thesis focused on hit identification in electron density maps and has been written in cooperation with the working group of Dr. Alke Meents at DESY.

Research Interest: hit identification in electron density maps, tethered and flexible docking, fragment growing, computer vision.

Project: Thorben's project aims to build a highly automated workflow for FBDD (Fragment-Based Drug Discovery). This workflow shall incorporate hit identification done on electron density maps from XRay screening experiments, generating poses for found hits and growing binding fragments into larger candidates. The developed
workflow will also be made available via a web server.