Ontology highlight
ABSTRACT:
SUBMITTER: Miner JC
PROVIDER: S-EPMC4914146 | biostudies-literature | 2016 Jun
REPOSITORIES: biostudies-literature
Miner Jacob C JC Chen Alan A AA García Angel E AE
Proceedings of the National Academy of Sciences of the United States of America 20160527 24
We report the characterization of the energy landscape and the folding/unfolding thermodynamics of a hyperstable RNA tetraloop obtained through high-performance molecular dynamics simulations at microsecond timescales. Sampling of the configurational landscape is conducted using temperature replica exchange molecular dynamics over three isochores at high, ambient, and negative pressures to determine the thermodynamic stability and the free-energy landscape of the tetraloop. The simulations revea ...[more]