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