Welcome to the NMSim Web Interface

http://www.nmsim.de

NMSim is a normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins. The approach has been shown to reproduce experimentally observed conformational variabilities in the case of domain and loop motions and is able to generate meaningful pathways of conformational transitions. The generated structures are of good stereochemical quality. Thus, they can serve as input to docking approaches or as starting points for more sophisticated sampling techniques.

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Krüger, D.M., Ahmed, A., Gohlke, H. NMSim Web Server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins. Nucleic Acids Res. 2012, 40, W310-W316, doi:10.1093/nar/gks478. [PubMed]

Ahmed, A., Rippmann, F., Barnickel, G., Gohlke, H. A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins. J. Chem. Inf. Model. 2011, 51, 1604-1622. [PubMed]

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