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Ranking the quality of protein structure models using sidechain based network properties

Determining the correct structure of a protein given its sequence still remains an arduous task with many researchers working towards this goal. Most structure prediction methodologies result in the generation of a large number of probable candidates with the final challenge being to select the best...

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Detalles Bibliográficos
Autores principales: Ghosh, Soma, Vishveshwara, Saraswathi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000Research 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4038323/
https://www.ncbi.nlm.nih.gov/pubmed/25580218
http://dx.doi.org/10.12688/f1000research.3-17.v1
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author Ghosh, Soma
Vishveshwara, Saraswathi
author_facet Ghosh, Soma
Vishveshwara, Saraswathi
author_sort Ghosh, Soma
collection PubMed
description Determining the correct structure of a protein given its sequence still remains an arduous task with many researchers working towards this goal. Most structure prediction methodologies result in the generation of a large number of probable candidates with the final challenge being to select the best amongst these. In this work, we have used Protein Structure Networks of native and modeled proteins in combination with Support Vector Machines to estimate the quality of a protein structure model and finally to provide ranks for these models. Model ranking is performed using regression analysis and helps in model selection from a group of many similar and good quality structures. Our results show that structures with a rank greater than 16 exhibit native protein-like properties while those below 10 are non-native like. The tool is also made available as a web-server ( http://vishgraph.mbu.iisc.ernet.in/GraProStr/native_non_native_ranking.html), where, 5 modelled structures can be evaluated at a given time.
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spelling pubmed-40383232015-01-09 Ranking the quality of protein structure models using sidechain based network properties Ghosh, Soma Vishveshwara, Saraswathi F1000Res Web Tool Determining the correct structure of a protein given its sequence still remains an arduous task with many researchers working towards this goal. Most structure prediction methodologies result in the generation of a large number of probable candidates with the final challenge being to select the best amongst these. In this work, we have used Protein Structure Networks of native and modeled proteins in combination with Support Vector Machines to estimate the quality of a protein structure model and finally to provide ranks for these models. Model ranking is performed using regression analysis and helps in model selection from a group of many similar and good quality structures. Our results show that structures with a rank greater than 16 exhibit native protein-like properties while those below 10 are non-native like. The tool is also made available as a web-server ( http://vishgraph.mbu.iisc.ernet.in/GraProStr/native_non_native_ranking.html), where, 5 modelled structures can be evaluated at a given time. F1000Research 2014-01-21 /pmc/articles/PMC4038323/ /pubmed/25580218 http://dx.doi.org/10.12688/f1000research.3-17.v1 Text en Copyright: © 2014 Ghosh S and Vishveshwara S http://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. http://creativecommons.org/publicdomain/zero/1.0/ Data associated with the article are available under the terms of the Creative Commons Zero "No rights reserved" data waiver (CC0 1.0 Public domain dedication).
spellingShingle Web Tool
Ghosh, Soma
Vishveshwara, Saraswathi
Ranking the quality of protein structure models using sidechain based network properties
title Ranking the quality of protein structure models using sidechain based network properties
title_full Ranking the quality of protein structure models using sidechain based network properties
title_fullStr Ranking the quality of protein structure models using sidechain based network properties
title_full_unstemmed Ranking the quality of protein structure models using sidechain based network properties
title_short Ranking the quality of protein structure models using sidechain based network properties
title_sort ranking the quality of protein structure models using sidechain based network properties
topic Web Tool
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4038323/
https://www.ncbi.nlm.nih.gov/pubmed/25580218
http://dx.doi.org/10.12688/f1000research.3-17.v1
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