Constructing atomic-resolution RNA structural ensembles using MD and motionally decoupled NMR RDCs.

Journal Article (Journal Article)

A broad structural landscape often needs to be characterized in order to fully understand how regulatory RNAs perform their biological functions at the atomic level. We present a protocol for visualizing thermally accessible RNA conformations at atomic-resolution and with timescales extending up to milliseconds. The protocol combines molecular dynamics (MD) simulations with experimental residual dipolar couplings (RDCs) measured in partially aligned (13)C/(15)N isotopically enriched elongated RNA samples. The structural ensembles generated in this manner provide insights into RNA dynamics and its role in functionally important transitions.

Full Text

Duke Authors

Cited Authors

  • Stelzer, AC; Frank, AT; Bailor, MH; Andricioaei, I; Al-Hashimi, HM

Published Date

  • October 2009

Published In

Volume / Issue

  • 49 / 2

Start / End Page

  • 167 - 173

PubMed ID

  • 19699798

Pubmed Central ID

  • PMC3320149

Electronic International Standard Serial Number (EISSN)

  • 1095-9130

Digital Object Identifier (DOI)

  • 10.1016/j.ymeth.2009.08.006


  • eng

Conference Location

  • United States