Cargando…

RPF: a quality assessment tool for protein NMR structures

We describe the RPF web server, a quality assessment tool for protein NMR structures. The RPF server measures the ‘goodness-of-fit’ of the 3D structure with NMR chemical shift and unassigned NOESY data, and calculates a discrimination power (DP) score, which estimates the differences between the fit...

Descripción completa

Detalles Bibliográficos
Autores principales: Huang, Yuanpeng Janet, Rosato, Antonio, Singh, Gautam, Montelione, Gaetano T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394279/
https://www.ncbi.nlm.nih.gov/pubmed/22570414
http://dx.doi.org/10.1093/nar/gks373
_version_ 1782237844277821440
author Huang, Yuanpeng Janet
Rosato, Antonio
Singh, Gautam
Montelione, Gaetano T.
author_facet Huang, Yuanpeng Janet
Rosato, Antonio
Singh, Gautam
Montelione, Gaetano T.
author_sort Huang, Yuanpeng Janet
collection PubMed
description We describe the RPF web server, a quality assessment tool for protein NMR structures. The RPF server measures the ‘goodness-of-fit’ of the 3D structure with NMR chemical shift and unassigned NOESY data, and calculates a discrimination power (DP) score, which estimates the differences between the fits of the query structures and random coil structures to these experimental data. The DP-score is an accuracy predictor of the query structure. The RPF server also maps local structure quality measures onto the 3D structure using an online molecular viewer, and onto the NMR spectra, allowing refinement of the structure and/or NOESY peak list data. The RPF server is available at: http://nmr.cabm.rutgers.edu/rpf.
format Online
Article
Text
id pubmed-3394279
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher Oxford University Press
record_format MEDLINE/PubMed
spelling pubmed-33942792012-07-30 RPF: a quality assessment tool for protein NMR structures Huang, Yuanpeng Janet Rosato, Antonio Singh, Gautam Montelione, Gaetano T. Nucleic Acids Res Articles We describe the RPF web server, a quality assessment tool for protein NMR structures. The RPF server measures the ‘goodness-of-fit’ of the 3D structure with NMR chemical shift and unassigned NOESY data, and calculates a discrimination power (DP) score, which estimates the differences between the fits of the query structures and random coil structures to these experimental data. The DP-score is an accuracy predictor of the query structure. The RPF server also maps local structure quality measures onto the 3D structure using an online molecular viewer, and onto the NMR spectra, allowing refinement of the structure and/or NOESY peak list data. The RPF server is available at: http://nmr.cabm.rutgers.edu/rpf. Oxford University Press 2012-07 2012-05-08 /pmc/articles/PMC3394279/ /pubmed/22570414 http://dx.doi.org/10.1093/nar/gks373 Text en © The Author(s) 2012. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/3.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
Huang, Yuanpeng Janet
Rosato, Antonio
Singh, Gautam
Montelione, Gaetano T.
RPF: a quality assessment tool for protein NMR structures
title RPF: a quality assessment tool for protein NMR structures
title_full RPF: a quality assessment tool for protein NMR structures
title_fullStr RPF: a quality assessment tool for protein NMR structures
title_full_unstemmed RPF: a quality assessment tool for protein NMR structures
title_short RPF: a quality assessment tool for protein NMR structures
title_sort rpf: a quality assessment tool for protein nmr structures
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394279/
https://www.ncbi.nlm.nih.gov/pubmed/22570414
http://dx.doi.org/10.1093/nar/gks373
work_keys_str_mv AT huangyuanpengjanet rpfaqualityassessmenttoolforproteinnmrstructures
AT rosatoantonio rpfaqualityassessmenttoolforproteinnmrstructures
AT singhgautam rpfaqualityassessmenttoolforproteinnmrstructures
AT montelionegaetanot rpfaqualityassessmenttoolforproteinnmrstructures