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Latest news:

Feb 12, 2020:
New preprint on bioRxiv: Amyloid fibril structure of islet amyloid polypeptide by cryo-electron microscopy reveals similarities with amyloid beta

Aug 21, 2019:
New publication in Nature Communications on the PI3K-SH3 amyloid fibril structure by Cryo-EM. see here.

Aug 7, 2019:
New DireX Version 0.7.1. Added a turbo mode, which is much faster (but less accurate). Download here.

Sep 10, 2017:
New publication in Science on the Abeta(1-42) fibril structure. see here.

Sep 1, 2017:
We have new job openings for postdocs and PhD students, see here.

Jul 10, 2017:
Congratulations to Michaela, Amudha, and Tatjana on their successful PhD Defenses!

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 uses cryo-electron microscopy (cryo-EM) to determine the structure of amyloid proteins and 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.

News

Analysis of COVID-19 number of infections:

covid-19-analysis

Percent change of new COVID-19 infections per day in Germany.
Inferred from weekly changes to account for the dependence of reporting on the day of the week. Calculated from: [ N'(t)/N'(t-7) ]^(1/7), where N'(t) is the number of new cases per day reported on day t. 0% means the number of new infections per day does not change, i.e. the growth would be linear.
Analysis from Apr 03, 2020 (by Gunnar F. Schröder).
Data from Robert-Koch-Institut COVID-19-Dashboard:
https://experience.arcgis.com/experience/478220a4c454480e823b17327b2bf1d4

New publications:

Check out our new preprint on bioRxiv:
Amyloid fibril structure of islet amyloid polypeptide by cryo-electron microscopy reveals similarities with amyloid beta

New Review is out:
Integrating cryo-EM and NMR data
James A. Geraets, Karunakar R. Pothula, Gunnar F. Schröder.
Current Opinion in Structural Biology (2020) 61:173-181.


We have determined a high-resolution structure of an PI3K-SH3 amyloid fibril. Roeder et al., Atomic structure of PI3-kinase SH3 amyloid fibrils by cryo-electron microscopy (Nat. Commun. 2019)
You can download the structure here:
Density Map (EMD-4727) and PDB Model (PDB ID 6R4R).
The PDB and EMDataBank entries will be released on Aug 28, 2019.