Cystic Fibrosis

Volume 741 of the series Methods in Molecular Biology pp 347-363


Molecular Modeling Tools and Approaches for CFTR and Cystic Fibrosis

  • Adrian W.R. SerohijosAffiliated withDepartment of Physics and Astronomy, Program in Molecular and Cellular Biophysics, University of North CarolinaDepartment of Chemistry and Chemical Biology, Harvard University
  • , Patrick H. ThibodeauAffiliated withDepartment of Cell Biology and Physiology, University of Pittsburgh School of Medicine
  • , Nikolay V. DokholyanAffiliated withDepartment of Biochemistry and Biophysics, University of North Carolina Email author 

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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