CS-Annotate: A Tool for Using NMR Chemical Shifts to Annotate RNA Structure.
Journal
Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060
Informations de publication
Date de publication:
26 04 2021
26 04 2021
Historique:
pubmed:
3
4
2021
medline:
10
7
2021
entrez:
2
4
2021
Statut:
ppublish
Résumé
Here, we introduce CS-Annotate, a tool that uses assigned NMR chemical shifts to annotate structural features in RNA. At its core, CS-Annotate is a deployment of a multitask deep learning model that simultaneously classifies the solvent exposure, base-stacking and -pairing status, and conformation of individual RNA residues from their chemical shift fingerprint. Here, we briefly describe how we trained and tested the classifier and demonstrate its application to a model RNA system. CS-Annotate can be accessed via the SMALTR (
Identifiants
pubmed: 33797909
doi: 10.1021/acs.jcim.1c00006
doi:
Substances chimiques
RNA
63231-63-0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM