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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12

Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas...

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Autores principales: Keasar, Chen, McGuffin, Liam J., Wallner, Björn, Chopra, Gaurav, Adhikari, Badri, Bhattacharya, Debswapna, Blake, Lauren, Bortot, Leandro Oliveira, Cao, Renzhi, Dhanasekaran, B. K., Dimas, Itzhel, Faccioli, Rodrigo Antonio, Faraggi, Eshel, Ganzynkowicz, Robert, Ghosh, Sambit, Ghosh, Soma, Giełdoń, Artur, Golon, Lukasz, He, Yi, Heo, Lim, Hou, Jie, Khan, Main, Khatib, Firas, Khoury, George A., Kieslich, Chris, Kim, David E., Krupa, Pawel, Lee, Gyu Rie, Li, Hongbo, Li, Jilong, Lipska, Agnieszka, Liwo, Adam, Maghrabi, Ali Hassan A., Mirdita, Milot, Mirzaei, Shokoufeh, Mozolewska, Magdalena A., Onel, Melis, Ovchinnikov, Sergey, Shah, Anand, Shah, Utkarsh, Sidi, Tomer, Sieradzan, Adam K., Ślusarz, Magdalena, Ślusarz, Rafal, Smadbeck, James, Tamamis, Phanourios, Trieber, Nicholas, Wirecki, Tomasz, Yin, Yanping, Zhang, Yang, Bacardit, Jaume, Baranowski, Maciej, Chapman, Nicholas, Cooper, Seth, Defelicibus, Alexandre, Flatten, Jeff, Koepnick, Brian, Popović, Zoran, Zaborowski, Bartlomiej, Baker, David, Cheng, Jianlin, Czaplewski, Cezary, Delbem, Alexandre Cláudio Botazzo, Floudas, Christodoulos, Kloczkowski, Andrzej, Ołdziej, Stanislaw, Levitt, Michael, Scheraga, Harold, Seok, Chaok, Söding, Johannes, Vishveshwara, Saraswathi, Xu, Dong, Crivelli, Silvia N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6028396/
https://www.ncbi.nlm.nih.gov/pubmed/29967418
http://dx.doi.org/10.1038/s41598-018-26812-8
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author Keasar, Chen
McGuffin, Liam J.
Wallner, Björn
Chopra, Gaurav
Adhikari, Badri
Bhattacharya, Debswapna
Blake, Lauren
Bortot, Leandro Oliveira
Cao, Renzhi
Dhanasekaran, B. K.
Dimas, Itzhel
Faccioli, Rodrigo Antonio
Faraggi, Eshel
Ganzynkowicz, Robert
Ghosh, Sambit
Ghosh, Soma
Giełdoń, Artur
Golon, Lukasz
He, Yi
Heo, Lim
Hou, Jie
Khan, Main
Khatib, Firas
Khoury, George A.
Kieslich, Chris
Kim, David E.
Krupa, Pawel
Lee, Gyu Rie
Li, Hongbo
Li, Jilong
Lipska, Agnieszka
Liwo, Adam
Maghrabi, Ali Hassan A.
Mirdita, Milot
Mirzaei, Shokoufeh
Mozolewska, Magdalena A.
Onel, Melis
Ovchinnikov, Sergey
Shah, Anand
Shah, Utkarsh
Sidi, Tomer
Sieradzan, Adam K.
Ślusarz, Magdalena
Ślusarz, Rafal
Smadbeck, James
Tamamis, Phanourios
Trieber, Nicholas
Wirecki, Tomasz
Yin, Yanping
Zhang, Yang
Bacardit, Jaume
Baranowski, Maciej
Chapman, Nicholas
Cooper, Seth
Defelicibus, Alexandre
Flatten, Jeff
Koepnick, Brian
Popović, Zoran
Zaborowski, Bartlomiej
Baker, David
Cheng, Jianlin
Czaplewski, Cezary
Delbem, Alexandre Cláudio Botazzo
Floudas, Christodoulos
Kloczkowski, Andrzej
Ołdziej, Stanislaw
Levitt, Michael
Scheraga, Harold
Seok, Chaok
Söding, Johannes
Vishveshwara, Saraswathi
Xu, Dong
Crivelli, Silvia N.
author_facet Keasar, Chen
McGuffin, Liam J.
Wallner, Björn
Chopra, Gaurav
Adhikari, Badri
Bhattacharya, Debswapna
Blake, Lauren
Bortot, Leandro Oliveira
Cao, Renzhi
Dhanasekaran, B. K.
Dimas, Itzhel
Faccioli, Rodrigo Antonio
Faraggi, Eshel
Ganzynkowicz, Robert
Ghosh, Sambit
Ghosh, Soma
Giełdoń, Artur
Golon, Lukasz
He, Yi
Heo, Lim
Hou, Jie
Khan, Main
Khatib, Firas
Khoury, George A.
Kieslich, Chris
Kim, David E.
Krupa, Pawel
Lee, Gyu Rie
Li, Hongbo
Li, Jilong
Lipska, Agnieszka
Liwo, Adam
Maghrabi, Ali Hassan A.
Mirdita, Milot
Mirzaei, Shokoufeh
Mozolewska, Magdalena A.
Onel, Melis
Ovchinnikov, Sergey
Shah, Anand
Shah, Utkarsh
Sidi, Tomer
Sieradzan, Adam K.
Ślusarz, Magdalena
Ślusarz, Rafal
Smadbeck, James
Tamamis, Phanourios
Trieber, Nicholas
Wirecki, Tomasz
Yin, Yanping
Zhang, Yang
Bacardit, Jaume
Baranowski, Maciej
Chapman, Nicholas
Cooper, Seth
Defelicibus, Alexandre
Flatten, Jeff
Koepnick, Brian
Popović, Zoran
Zaborowski, Bartlomiej
Baker, David
Cheng, Jianlin
Czaplewski, Cezary
Delbem, Alexandre Cláudio Botazzo
Floudas, Christodoulos
Kloczkowski, Andrzej
Ołdziej, Stanislaw
Levitt, Michael
Scheraga, Harold
Seok, Chaok
Söding, Johannes
Vishveshwara, Saraswathi
Xu, Dong
Crivelli, Silvia N.
author_sort Keasar, Chen
collection PubMed
description Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas and collaborations. In 2012 a web-based effort called WeFold, was initiated to promote collaboration within the CASP community and attract researchers from other fields to contribute new ideas to CASP. Members of the WeFold coopetition (cooperation and competition) participated in CASP as individual teams, but also shared components of their methods to create hybrid pipelines and actively contributed to this effort. We assert that the scale and diversity of integrative prediction pipelines could not have been achieved by any individual lab or even by any collaboration among a few partners. The models contributed by the participating groups and generated by the pipelines are publicly available at the WeFold website providing a wealth of data that remains to be tapped. Here, we analyze the results of the 2014 and 2016 pipelines showing improvements according to the CASP assessment as well as areas that require further adjustments and research.
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spelling pubmed-60283962018-07-09 An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12 Keasar, Chen McGuffin, Liam J. Wallner, Björn Chopra, Gaurav Adhikari, Badri Bhattacharya, Debswapna Blake, Lauren Bortot, Leandro Oliveira Cao, Renzhi Dhanasekaran, B. K. Dimas, Itzhel Faccioli, Rodrigo Antonio Faraggi, Eshel Ganzynkowicz, Robert Ghosh, Sambit Ghosh, Soma Giełdoń, Artur Golon, Lukasz He, Yi Heo, Lim Hou, Jie Khan, Main Khatib, Firas Khoury, George A. Kieslich, Chris Kim, David E. Krupa, Pawel Lee, Gyu Rie Li, Hongbo Li, Jilong Lipska, Agnieszka Liwo, Adam Maghrabi, Ali Hassan A. Mirdita, Milot Mirzaei, Shokoufeh Mozolewska, Magdalena A. Onel, Melis Ovchinnikov, Sergey Shah, Anand Shah, Utkarsh Sidi, Tomer Sieradzan, Adam K. Ślusarz, Magdalena Ślusarz, Rafal Smadbeck, James Tamamis, Phanourios Trieber, Nicholas Wirecki, Tomasz Yin, Yanping Zhang, Yang Bacardit, Jaume Baranowski, Maciej Chapman, Nicholas Cooper, Seth Defelicibus, Alexandre Flatten, Jeff Koepnick, Brian Popović, Zoran Zaborowski, Bartlomiej Baker, David Cheng, Jianlin Czaplewski, Cezary Delbem, Alexandre Cláudio Botazzo Floudas, Christodoulos Kloczkowski, Andrzej Ołdziej, Stanislaw Levitt, Michael Scheraga, Harold Seok, Chaok Söding, Johannes Vishveshwara, Saraswathi Xu, Dong Crivelli, Silvia N. Sci Rep Article Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas and collaborations. In 2012 a web-based effort called WeFold, was initiated to promote collaboration within the CASP community and attract researchers from other fields to contribute new ideas to CASP. Members of the WeFold coopetition (cooperation and competition) participated in CASP as individual teams, but also shared components of their methods to create hybrid pipelines and actively contributed to this effort. We assert that the scale and diversity of integrative prediction pipelines could not have been achieved by any individual lab or even by any collaboration among a few partners. The models contributed by the participating groups and generated by the pipelines are publicly available at the WeFold website providing a wealth of data that remains to be tapped. Here, we analyze the results of the 2014 and 2016 pipelines showing improvements according to the CASP assessment as well as areas that require further adjustments and research. Nature Publishing Group UK 2018-07-02 /pmc/articles/PMC6028396/ /pubmed/29967418 http://dx.doi.org/10.1038/s41598-018-26812-8 Text en © The Author(s) 2018 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Keasar, Chen
McGuffin, Liam J.
Wallner, Björn
Chopra, Gaurav
Adhikari, Badri
Bhattacharya, Debswapna
Blake, Lauren
Bortot, Leandro Oliveira
Cao, Renzhi
Dhanasekaran, B. K.
Dimas, Itzhel
Faccioli, Rodrigo Antonio
Faraggi, Eshel
Ganzynkowicz, Robert
Ghosh, Sambit
Ghosh, Soma
Giełdoń, Artur
Golon, Lukasz
He, Yi
Heo, Lim
Hou, Jie
Khan, Main
Khatib, Firas
Khoury, George A.
Kieslich, Chris
Kim, David E.
Krupa, Pawel
Lee, Gyu Rie
Li, Hongbo
Li, Jilong
Lipska, Agnieszka
Liwo, Adam
Maghrabi, Ali Hassan A.
Mirdita, Milot
Mirzaei, Shokoufeh
Mozolewska, Magdalena A.
Onel, Melis
Ovchinnikov, Sergey
Shah, Anand
Shah, Utkarsh
Sidi, Tomer
Sieradzan, Adam K.
Ślusarz, Magdalena
Ślusarz, Rafal
Smadbeck, James
Tamamis, Phanourios
Trieber, Nicholas
Wirecki, Tomasz
Yin, Yanping
Zhang, Yang
Bacardit, Jaume
Baranowski, Maciej
Chapman, Nicholas
Cooper, Seth
Defelicibus, Alexandre
Flatten, Jeff
Koepnick, Brian
Popović, Zoran
Zaborowski, Bartlomiej
Baker, David
Cheng, Jianlin
Czaplewski, Cezary
Delbem, Alexandre Cláudio Botazzo
Floudas, Christodoulos
Kloczkowski, Andrzej
Ołdziej, Stanislaw
Levitt, Michael
Scheraga, Harold
Seok, Chaok
Söding, Johannes
Vishveshwara, Saraswathi
Xu, Dong
Crivelli, Silvia N.
An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title_full An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title_fullStr An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title_full_unstemmed An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title_short An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
title_sort analysis and evaluation of the wefold collaborative for protein structure prediction and its pipelines in casp11 and casp12
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6028396/
https://www.ncbi.nlm.nih.gov/pubmed/29967418
http://dx.doi.org/10.1038/s41598-018-26812-8
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AT ovchinnikovsergey analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT shahanand analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT shahutkarsh analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT siditomer analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT sieradzanadamk analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT slusarzmagdalena analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT slusarzrafal analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT smadbeckjames analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT tamamisphanourios analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT triebernicholas analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT wireckitomasz analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT yinyanping analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT zhangyang analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT bacarditjaume analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT baranowskimaciej analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT chapmannicholas analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT cooperseth analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT defelicibusalexandre analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT flattenjeff analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT koepnickbrian analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT popoviczoran analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT zaborowskibartlomiej analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT bakerdavid analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT chengjianlin analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT czaplewskicezary analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT delbemalexandreclaudiobotazzo analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT floudaschristodoulos analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT kloczkowskiandrzej analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT ołdziejstanislaw analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT levittmichael analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT scheragaharold analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT seokchaok analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT sodingjohannes analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT vishveshwarasaraswathi analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT xudong analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12
AT crivellisilvian analysisandevaluationofthewefoldcollaborativeforproteinstructurepredictionanditspipelinesincasp11andcasp12