Cystic Fibrosis pp 347-363

Part of the Methods in Molecular Biology book series (MIMB, volume 741)

Molecular Modeling Tools and Approaches for CFTR and Cystic Fibrosis

  • Adrian W.R. Serohijos
  • Patrick H. Thibodeau
  • Nikolay V. Dokholyan


Cystic fibrosis is a multi-faceted disease resulting from the dysfunction of the CFTR channel. Understanding the structural basis of channel function and the structural origin of the defect is imperative in the development of therapeutic strategies. Here, we describe molecular modeling tools that, in conjunction with complementary experimental tools, lead to significant findings on CFTR channel function and on the effect of the pathogenic mutant F508del.

Key words

Cystic fibrosis CFTR, ABC proteins molecular modeling homology modeling discrete molecular dynamics protein stability estimations 


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Copyright information

© Springer Science+Business Media, LLC 2011

Authors and Affiliations

  • Adrian W.R. Serohijos
    • 1
    • 2
  • Patrick H. Thibodeau
    • 3
  • Nikolay V. Dokholyan
    • 4
  1. 1.Department of Physics and Astronomy, Program in Molecular and Cellular BiophysicsUniversity of North CarolinaChapel HillUSA
  2. 2.Department of Chemistry and Chemical BiologyHarvard UniversityCambridgeUSA
  3. 3.Department of Cell Biology and PhysiologyUniversity of Pittsburgh School of MedicinePittsburghUSA
  4. 4.Department of Biochemistry and BiophysicsUniversity of North CarolinaChapel HillUSA

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