期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 130, 期 30, 页码 9676-+出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja8032857
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资金
- NIGMS NIH HHS [P01 GM066275, U54 GM072970, GM072970] Funding Source: Medline
- Direct For Mathematical & Physical Scien
- Division Of Mathematical Sciences [808515] Funding Source: National Science Foundation
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.
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