Article
Effects of a mutation on the folding mechanism of a beta-hairpin.
The journal of physical chemistry. B - 17 Dec 2009
Juraszek Jarek, Bolhuis Peter G
Abstract excerpt
The folding mechanism of a protein is determined by its primary sequence. Yet, how the mechanism is changed by a mutation is still poorly understood, even for basic secondary structures such as beta-hairpins. We perform an extensive simulation study of the effects of mutating the GB1 beta-hairpin into Trpzip4 (Y5W, F12W, V14W) on the folding mechanism. While Trpzip4 has a much more stable native state due to very...
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