Measuring similarity between dynamic ensembles of biomolecules.

Journal Article (Journal Article)

We present a simple and general approach termed REsemble for quantifying population overlap and structural similarity between ensembles. This approach captures improvements in the quality of ensembles determined using increasing input experimental data--improvements that go undetected when conventional methods for comparing ensembles are used--and reveals unexpected similarities between RNA ensembles determined using NMR and molecular dynamics simulations.

Full Text

Duke Authors

Cited Authors

  • Yang, S; Salmon, L; Al-Hashimi, HM

Published Date

  • May 2014

Published In

Volume / Issue

  • 11 / 5

Start / End Page

  • 552 - 554

PubMed ID

  • 24705474

Pubmed Central ID

  • PMC4041546

Electronic International Standard Serial Number (EISSN)

  • 1548-7105

Digital Object Identifier (DOI)

  • 10.1038/nmeth.2921


  • eng

Conference Location

  • United States