Measuring similarity between dynamic ensembles of biomolecules.

ABSTRACT: 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.

SUBMITTER: Yang S 

PROVIDER: S-EPMC4041546 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature