Ontology highlight
ABSTRACT:
SUBMITTER: Chen AA
PROVIDER: S-EPMC3801082 | biostudies-literature | 2013 Oct
REPOSITORIES: biostudies-literature
Chen Alan A AA García Angel E AE
Proceedings of the National Academy of Sciences of the United States of America 20130916 42
We report the de novo folding of three hyperstable RNA tetraloops to 1-3 Å rmsd from their experimentally determined structures using molecular dynamics simulations initialized in the unfolded state. RNA tetraloops with loop sequences UUCG, GCAA, or CUUG are hyperstable because of the formation of noncanonical loop-stabilizing interactions, and they are all faithfully reproduced to angstrom-level accuracy in replica exchange molecular dynamics simulations, including explicit solvent and ion mole ...[more]