Constraint Network Analysis (CNA)

Constraint Network Analysis [1] (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 residues that upon mutation would improve a protein's thermostability [2,4]. Furthermore, CNA can also be applied for investigating changes of biomolecular flexibility due to allostery [3] and complex formation.

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[1] Pfleger et al. J. Chem. Inf. Model. (2013)

[2] Rathi PC et al. PLoS Comput Biol (2016)

[3] Pfleger et al. J. Chem. Theo. Comput. (2017)

[4] Nutschel et al. J. Chem. Inf. Model. (2020)