Metadynamic sampling of the free-energy landscapes of proteins coupled with a Monte Carlo algorithm
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چکیده
منابع مشابه
Metadynamic sampling of the free-energy landscapes of proteins coupled with a Monte Carlo algorithm.
Metadynamics is a powerful computational tool to obtain the free-energy landscape of complex systems. The Monte Carlo algorithm has proven useful to calculate thermodynamic quantities associated with simplified models of proteins, and thus to gain an ever-increasing understanding on the general principles underlying the mechanism of protein folding. We show that it is possible to couple metadyn...
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ژورنال
عنوان ژورنال: Gene
سال: 2008
ISSN: 0378-1119
DOI: 10.1016/j.gene.2008.06.003