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Latest news:

Sep 25, 2020:
New paper on biosensor engineering is out in Nat Commun, see HERE

Jun 15, 2020:
IAPP fibril paper is out in NSMB: HERE

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 Biological Information Processing (IBI-7)
Forschungszentrum Jülich
The group uses cryo-electron microscopy (cryo-EM) to determine the structure of amyloid proteins. We aim to understand the molecular basis of diseases that involve amyloid aggregation, such as Alzheimer's, Parkinsons's, and diabetes. For this, we study the polymorphism of amyloid fibrils of Aβ, α-synuclein, IAPP, and amyloid model systems such as SH3.
Furthermore, the group develops 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

New publications

Our paper on "Engineering and application of a biosensor with focused ligand specificity" by Dennis Della Corte et al. just appeared online:
https://www.nature.com/articles/s41467-020-18400-0


Check out our new paper on the IAPP fibril structure by cryo-EM in NSMB:

Cryo-EM structure of islet amyloid polypeptide fibrils reveals similarities with Aβ fibrils .
Christine Röder, Tatsiana Kupreichyk, Lothar Gremer, Luisa U. Schäfer, Karunakar R. Pothula, Raimond B. G. Ravelli, Dieter Willbold, Wolfgang Hoyer and Gunnar F. Schröder
Nat Struct Mol Biol (2020). https://doi.org/10.1038/s41594-020-0442-4

You can download the atomic model of polymorph 1 here:
PDB 6Y1A
and the density maps for polymorphs 1 to 3 here:
EMD-10669 (PM1)
EMD-10670 (PM2)
EMD-10671 (PM3)


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.