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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 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. |
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News
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New publication:
We have just 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. |