|Welcome to the CNAnalysis Web Interface||http://www.cnanalysis.de|
Constraint Network Analysis (CNAnalysis) is a graph theory-based rigidity analysis approach that analyzes global and local flexibility and rigidity characteristics of proteins by carrying out thermal unfolding simulations. The approach has been used to predict the thermostability of proteins and to identify structural weak spots, i.e., residues that upon mutation would improve a protein's thermostability. Furthermore, the approach can also be applied in other areas of computational biomolecular research, e.g., for linking biomolecular flexibility and function and for investigating changes of biomolecular flexibility due to complex formation.
Krüger, D. M., Rathi, P. C., Pfleger, C., Gohlke, H. Nucleic Acids Res. 2013, doi: 10.1093/nar/gkt292. (introducing the CNA web server) [PubMed]
Pfleger, C., Rathi, P.C., Klein, D., Radestock, S., Gohlke, H. J. Chem. Inf. Model. 2013, DOI: 10.1021/ci400044m (describing the implementation of the CNA software) [PubMed]
Pfleger, C., Radestock, S., Schmidt, E., Gohlke, H. J. Comput. Chem. 2012, DOI: 10.1002/jcc.23122 (providing the definitions of the global and local indices used within CNAnalysis for characterizing biomolecular flexibility) [PubMed]
Rathi, P.C., Radestock, S., Gohlke, H. J. Biotechnology, 2012, 159, 135-144 (validating the weak spot identification, introducing the idea of ensemble-based CNAnalysis, and treating hydrophobic tethers in a temperature-dependant manner) [PubMed]
Radestock, S., Gohlke, H. Proteins 2011, 79, 1089-1108 (using CNAnalysis to link a biomolecule‘s flexibility and function) [PubMed]
Radestock, S., Gohlke, H. Eng. Life Science 2008, 8, 507-522 (introducing the idea of thermal unfolding simulations for investigating thermostability and identifying weak spots) [PubMed]