Unknown

Dataset Information

0

Structural insight into RNA hairpin folding intermediates.


ABSTRACT: 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.

SUBMITTER: Bowman GR 

PROVIDER: S-EPMC2652247 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

altmetric image

Publications

Structural insight into RNA hairpin folding intermediates.

Bowman Gregory R GR   Huang Xuhui X   Yao Yuan Y   Sun Jian J   Carlsson Gunnar G   Guibas Leonidas J LJ   Pande Vijay S VS  

Journal of the American Chemical Society 20080701 30


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 n  ...[more]

Similar Datasets

| S-EPMC4762321 | biostudies-literature
| S-EPMC6045404 | biostudies-literature
| S-EPMC2995403 | biostudies-literature
| S-EPMC3985624 | biostudies-literature
| S-EPMC4816687 | biostudies-literature
| S-EPMC7568001 | biostudies-literature
| S-EPMC4423759 | biostudies-literature
| S-EPMC1950758 | biostudies-literature
| S-EPMC8266650 | biostudies-literature
| S-EPMC3923959 | biostudies-literature