Article
Role of native topology investigated by multiple unfolding simulations of four SH3 domains.
Journal of molecular biology - 25 May 2001
Gsponer J, Caflisch A
Abstract excerpt
The relative importance of amino acid sequence and native topology in the unfolding process of two SH3 domains and two circular permutants was investigated by 120 molecular dynamics runs at 375 K for a total simulation time of 0.72 micros. The alpha-spectrin (aSH3) and src SH3 (sSH3) domains, which have the same topology and a sequence identity of only 34%, show similar unfolding pathways. The disappearance of...
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