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Latest news:

Dec 4, 2015:
Congratulations to Dennis on his successfull PhD Defense!

Nov 22, 2015:
New publications on our protein structure refinement method and CASP11 results.

Feb 3, 2015:
Congratulations to Zhe on his successfull PhD Defense!

Computational Structural Biology Group
Head: Gunnar F. Schröder
Institute of Complex Systems (ICS-6)
Forschungszentrum Jülich

The group is developing computational methods for modeling and refinement of protein structures using low resolution or sparse experimental data. The focus is on the integration of structure prediction approaches with experimental data from different sources such as single particle cryo-EM, X-ray crystallography and NMR. We are working on the prediction of local structural details using molecular dynamics simulation techniques to improve low-resolution model building and homology modeling. The goal is to reliably describe the structure and conformational dynamics of proteins from low or intermediate resolution data. Another interest is the computational design of proteins, specifically the engineering of enzymes.

News

New publications:
Fischer et al., The pathway to GTPase activation of elongation factor SelB on the ribosome (Nature, 2016)
See press release (in german) here.

Braun et al., Archaeal flagellin combines a bacterial type IV pilin domain with an Ig-like domain (PNAS, 2016)
See press release (in german) here.