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QA-RecombineIt: a server for quality assessment and recombination of protein models

QA-RecombineIt provides a web interface to assess the quality of protein 3D structure models and to improve the accuracy of models by merging fragments of multiple input models. QA-RecombineIt has been developed for protein modelers who are working on difficult problems, have a set of different homo...

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Detalles Bibliográficos
Autores principales: Pawlowski, Marcin, Bogdanowicz, Albert, Bujnicki, Janusz M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3692112/
https://www.ncbi.nlm.nih.gov/pubmed/23700309
http://dx.doi.org/10.1093/nar/gkt408
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author Pawlowski, Marcin
Bogdanowicz, Albert
Bujnicki, Janusz M.
author_facet Pawlowski, Marcin
Bogdanowicz, Albert
Bujnicki, Janusz M.
author_sort Pawlowski, Marcin
collection PubMed
description QA-RecombineIt provides a web interface to assess the quality of protein 3D structure models and to improve the accuracy of models by merging fragments of multiple input models. QA-RecombineIt has been developed for protein modelers who are working on difficult problems, have a set of different homology models and/or de novo models (from methods such as I-TASSER or ROSETTA) and would like to obtain one consensus model that incorporates the best parts into one structure that is internally coherent. An advanced mode is also available, in which one can modify the operation of the fragment recombination algorithm by manually identifying individual fragments or entire models to recombine. Our method produces up to 100 models that are expected to be on the average more accurate than the starting models. Therefore, our server may be useful for crystallographic protein structure determination, where protein models are used for Molecular Replacement to solve the phase problem. To address the latter possibility, a special feature was added to the QA-RecombineIt server. The QA-RecombineIt server can be freely accessed at http://iimcb.genesilico.pl/qarecombineit/.
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spelling pubmed-36921122013-06-25 QA-RecombineIt: a server for quality assessment and recombination of protein models Pawlowski, Marcin Bogdanowicz, Albert Bujnicki, Janusz M. Nucleic Acids Res Articles QA-RecombineIt provides a web interface to assess the quality of protein 3D structure models and to improve the accuracy of models by merging fragments of multiple input models. QA-RecombineIt has been developed for protein modelers who are working on difficult problems, have a set of different homology models and/or de novo models (from methods such as I-TASSER or ROSETTA) and would like to obtain one consensus model that incorporates the best parts into one structure that is internally coherent. An advanced mode is also available, in which one can modify the operation of the fragment recombination algorithm by manually identifying individual fragments or entire models to recombine. Our method produces up to 100 models that are expected to be on the average more accurate than the starting models. Therefore, our server may be useful for crystallographic protein structure determination, where protein models are used for Molecular Replacement to solve the phase problem. To address the latter possibility, a special feature was added to the QA-RecombineIt server. The QA-RecombineIt server can be freely accessed at http://iimcb.genesilico.pl/qarecombineit/. Oxford University Press 2013-07 2013-05-21 /pmc/articles/PMC3692112/ /pubmed/23700309 http://dx.doi.org/10.1093/nar/gkt408 Text en © The Author(s) 2013. 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 non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Articles
Pawlowski, Marcin
Bogdanowicz, Albert
Bujnicki, Janusz M.
QA-RecombineIt: a server for quality assessment and recombination of protein models
title QA-RecombineIt: a server for quality assessment and recombination of protein models
title_full QA-RecombineIt: a server for quality assessment and recombination of protein models
title_fullStr QA-RecombineIt: a server for quality assessment and recombination of protein models
title_full_unstemmed QA-RecombineIt: a server for quality assessment and recombination of protein models
title_short QA-RecombineIt: a server for quality assessment and recombination of protein models
title_sort qa-recombineit: a server for quality assessment and recombination of protein models
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3692112/
https://www.ncbi.nlm.nih.gov/pubmed/23700309
http://dx.doi.org/10.1093/nar/gkt408
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