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Computer simulations point to key molecular basis of cystic fibrosis
Date:2/29/2008

gether for NBD1 to fold correctly. These interactions are modulators of CFTR folding, and hence, they are potential modulators of CF.

Computer simulations approximate our understanding of natural phenomena. That our simulations correlated with known experimental studies is remarkable, Dokholyan said. More importantly, the molecular details of aberrant NBD1 folding provides guidance for the design of small molecule drugs to correct the most prevalent and pathogenic mutation in CFTR.


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Contact: Mary Kohut
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Source:Eurekalert

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