KGSrna: efficient 3D kinematics-based sampling for nucleic acids

Publikation: Bidrag til bog/antologi/rapportKonferencebidrag i proceedingsForskningfagfællebedømt

  • Rasmus Fonseca
  • Henry van den Bedem
  • Julie Bernauer
Noncoding ribonucleic acids (RNA) play a critical role in a wide variety of cellular processes, ranging from regulating gene expression to post-translational modification and protein synthesis. Their activity is modulated by highly dynamic exchanges between three-dimensional conformational substates, which are difficult to characterize experimentally and computationally. Here, we present an innovative, entirely kinematic computational procedure to efficiently explore the native ensemble of RNA molecules. Our procedure projects degrees of freedom onto a subspace of conformation space defined by distance constraints in the tertiary structure. The dimensionality reduction enables efficient exploration of conformational space. We show that the conformational distributions obtained with our method broadly sample the conformational landscape observed in NMR experiments. Compared to normal mode analysis-based exploration, our procedure diffuses faster through the experimental ensemble while also accessing conformational substates to greater precision. Our results suggest that conformational sampling with a highly reduced but fully atomistic representation of noncoding RNA expresses key features of their dynamic nature.
OriginalsprogEngelsk
TitelResearch in Computational Molecular Biology : 19th Annual International Conference, RECOMB 2015, Warsaw, Poland, April 12-15, 2015, Proceedings
RedaktørerTeresa Przytycka
Antal sider16
ForlagSpringer
Publikationsdato2015
Sider80-95
ISBN (Trykt)978-3-319-16705-3
ISBN (Elektronisk)978-3-319-16706-0
DOI
StatusUdgivet - 2015
BegivenhedAnnual International Conference, RECOMB 2015 - Warsaw, Polen
Varighed: 12 apr. 201515 apr. 2015
Konferencens nummer: 19

Konference

KonferenceAnnual International Conference, RECOMB 2015
Nummer19
LandPolen
ByWarsaw
Periode12/04/201515/04/2015
NavnLecture Notes in Bioinformatics
ISSN1611-3349

ID: 142175402