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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. |
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News
| Our group was very successful in the recent CASP11 experiment (refinement category). Visit CASP Website. See press release (in german) here. |
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New publication "Ligand-induced structural changes in the cyclic nucleotide-modulated potassium channel MloK1"
(Nature Communications). |