🍩 Database of Original & Non-Theoretical Uses of Topology

1. Structural Insight Into RNA Hairpin Folding Intermediates (2008)

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

   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.

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   • Biology
   • Folding
   • Molecular dynamic simulation
   • Mapper