Structural insight into RNA hairpin folding intermediates

Gregory R. Bowman, Xuhui Huang, Yuan Yao, Jian Sun, Gunnar Carlsson, Leonidas J. Guibas, Vijay S. Pande

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Hairpins are a ubiquitous secondary structure motif in RNA molecules. Despite their simple structure, there is some debate over whether they fold in a two-state or multi-state manner. We have studied the folding of a small tetraloop hairpin using a serial version of replica exchange molecular dynamics on a distributed computing environment. On the basis of these simulations, we have identified a number of intermediates that are consistent with experimental results. We also find that folding is not simply the reverse of high-temperature unfolding and suggest that this may be a general feature of biomolecular folding.

Original languageEnglish
Pages (from-to)9676-9678
Number of pages3
JournalJournal of the American Chemical Society
Issue number30
StatePublished - Jul 30 2008
Externally publishedYes

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    Bowman, G. R., Huang, X., Yao, Y., Sun, J., Carlsson, G., Guibas, L. J., & Pande, V. S. (2008). Structural insight into RNA hairpin folding intermediates. Journal of the American Chemical Society, 130(30), 9676-9678.