Logo del repository
  1. Home
 
Opzioni

A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs

Poblete Fuentes, Simon David
•
Bottaro, Sandro
•
Bussi, Giovanni
2018
  • journal article

Periodico
NUCLEIC ACIDS RESEARCH
Abstract
We introduce the SPlit-and-conQueR (SPQR) model, a coarse-grained (CG) representation of RNA designed for structure prediction and refinement. In our approach, the representation of a nucleotide consists of a point particle for the phosphate group and an anisotropic particle for the nucleoside. The interactions are, in principle, knowledge-based potentials inspired by the $\mathcal E$SCORE function, a base-centered scoring function. However, a special treatment is given to base-pairing interactions and certain geometrical conformations which are lost in a raw knowledge-based model. This results in a representation able to describe planar canonical and non-canonical base pairs and base-phosphate interactions and to distinguish sugar puckers and glycosidic torsion conformations. The model is applied to the folding of several structures, including duplexes with internal loops of non-canonical base pairs, tetraloops, junctions and a pseudoknot. For the majority of these systems, experimental structures are correctly predicted at the level of individual contacts. We also propose a method for efficiently reintroducing atomistic detail from the CG representation.
DOI
10.1093/nar/gkx1269
WOS
WOS:000426293300016
Archivio
https://hdl.handle.net/20.500.11767/68111
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85042910490
https://arxiv.org/abs/1711.00741
Diritti
open access
Soggetti
  • Settore FIS/03 - Fisi...

  • Settore PHYS-04/A - F...

Web of Science© citazioni
27
Data di acquisizione
Mar 27, 2024
Visualizzazioni
5
Data di acquisizione
Apr 19, 2024
Vedi dettagli
google-scholar
Get Involved!
  • Source Code
  • Documentation
  • Slack Channel
Make it your own

DSpace-CRIS can be extensively configured to meet your needs. Decide which information need to be collected and available with fine-grained security. Start updating the theme to match your nstitution's web identity.

Need professional help?

The original creators of DSpace-CRIS at 4Science can take your project to the next level, get in touch!

Realizzato con Software DSpace-CRIS - Estensione mantenuta e ottimizzata da 4Science

  • Impostazioni dei cookie
  • Informativa sulla privacy
  • Accordo con l'utente finale
  • Invia il tuo Feedback