title: VisualCNA: a GUI for interactive constraint network analysis and protein engineering for improving thermostability.
abstract: Constraint network analysis (CNA) is a graph theory-based rigidity analysis approach for linking a biomolecule's structure, flexibility, (thermo)stability and function. Results from CNA are highly information-rich and require intuitive, synchronized and interactive visualization for a comprehensive analysis. We developed VisualCNA, an easy-to-use PyMOL plug-in that allows setup of CNA runs and analysis of CNA results linking plots with molecular graphics representations. From a practical viewpoint, the most striking feature of VisualCNA is that it facilitates interactive protein engineering aimed at improving thermostability.
  
  
  METHODS
  VisualCNA and its dependencies (CNA and FIRST software) are available free of charge under GPL and academic licenses, respectively. VisualCNA and CNA are available at http://cpclab.uni-duesseldorf.de/software; FIRST is available at http://flexweb.asu.edu.
authors.affiliation: Institute for Pharmaceutical and Medicinal Chemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University, Universitätsstr. 1, Düsseldorf, Germany.
authors.forename: Prakash Chandra
authors.initials: PC
authors.lastname: Rathi
authors.affiliation: Institute for Pharmaceutical and Medicinal Chemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University, Universitätsstr. 1, Düsseldorf, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Mulnaes
authors.affiliation: Institute for Pharmaceutical and Medicinal Chemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University, Universitätsstr. 1, Düsseldorf, Germany.
authors.forename: Holger
authors.initials: H
authors.lastname: Gohlke
mesh_terms: D003196:Computer Graphics; D008958:Models, Molecular; D050505:Mutant Proteins / Q000737:chemistry; D011487:Protein Conformation; D015202:Protein Engineering; D055550:Protein Stability; D058767:Protein Unfolding; D012984:Software; D013816:Thermodynamics; D014584:User-Computer Interface
chemical_list: D050505:Mutant Proteins