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Evaluation of predictions in the CASP10 model refinement category

Here we report on the assessment results of the third experiment to evaluate the state of the art in protein model refinement, where participants were invited to improve the accuracy of initial protein models for 27 targets. Using an array of complementary evaluation measures, we find that five grou...

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Detalles Bibliográficos
Autores principales: Nugent, Timothy, Cozzetto, Domenico, Jones, David T
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BlackWell Publishing Ltd 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4282348/
https://www.ncbi.nlm.nih.gov/pubmed/23900810
http://dx.doi.org/10.1002/prot.24377
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author Nugent, Timothy
Cozzetto, Domenico
Jones, David T
author_facet Nugent, Timothy
Cozzetto, Domenico
Jones, David T
author_sort Nugent, Timothy
collection PubMed
description Here we report on the assessment results of the third experiment to evaluate the state of the art in protein model refinement, where participants were invited to improve the accuracy of initial protein models for 27 targets. Using an array of complementary evaluation measures, we find that five groups performed better than the naïve (null) method—a marked improvement over CASP9, although only three were significantly better. The leading groups also demonstrated the ability to consistently improve both backbone and side chain positioning, while other groups reliably enhanced other aspects of protein physicality. The top-ranked group succeeded in improving the backbone conformation in almost 90% of targets, suggesting a strategy that for the first time in CASP refinement is successful in a clear majority of cases. A number of issues remain unsolved: the majority of groups still fail to improve the quality of the starting models; even successful groups are only able to make modest improvements; and no prediction is more similar to the native structure than to the starting model. Successful refinement attempts also often go unrecognized, as suggested by the relatively larger improvements when predictions not submitted as model 1 are also considered. Proteins 2014; 82(Suppl 2):98–111.
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spelling pubmed-42823482015-01-15 Evaluation of predictions in the CASP10 model refinement category Nugent, Timothy Cozzetto, Domenico Jones, David T Proteins Articles Here we report on the assessment results of the third experiment to evaluate the state of the art in protein model refinement, where participants were invited to improve the accuracy of initial protein models for 27 targets. Using an array of complementary evaluation measures, we find that five groups performed better than the naïve (null) method—a marked improvement over CASP9, although only three were significantly better. The leading groups also demonstrated the ability to consistently improve both backbone and side chain positioning, while other groups reliably enhanced other aspects of protein physicality. The top-ranked group succeeded in improving the backbone conformation in almost 90% of targets, suggesting a strategy that for the first time in CASP refinement is successful in a clear majority of cases. A number of issues remain unsolved: the majority of groups still fail to improve the quality of the starting models; even successful groups are only able to make modest improvements; and no prediction is more similar to the native structure than to the starting model. Successful refinement attempts also often go unrecognized, as suggested by the relatively larger improvements when predictions not submitted as model 1 are also considered. Proteins 2014; 82(Suppl 2):98–111. BlackWell Publishing Ltd 2014-02 2014-07-31 /pmc/articles/PMC4282348/ /pubmed/23900810 http://dx.doi.org/10.1002/prot.24377 Text en Copyright © 2014 Wiley Periodicals, Inc. http://creativecommons.org/licenses/by/3.0/ This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
Nugent, Timothy
Cozzetto, Domenico
Jones, David T
Evaluation of predictions in the CASP10 model refinement category
title Evaluation of predictions in the CASP10 model refinement category
title_full Evaluation of predictions in the CASP10 model refinement category
title_fullStr Evaluation of predictions in the CASP10 model refinement category
title_full_unstemmed Evaluation of predictions in the CASP10 model refinement category
title_short Evaluation of predictions in the CASP10 model refinement category
title_sort evaluation of predictions in the casp10 model refinement category
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4282348/
https://www.ncbi.nlm.nih.gov/pubmed/23900810
http://dx.doi.org/10.1002/prot.24377
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