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3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources

While scientists can often infer the biological function of proteins from their 3-dimensional quaternary structures, the gap between the number of known protein sequences and their experimentally determined structures keeps increasing. A potential solution to this problem is presented by ever more s...

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Autores principales: Varadi, Mihaly, Nair, Sreenath, Sillitoe, Ian, Tauriello, Gerardo, Anyango, Stephen, Bienert, Stefan, Borges, Clemente, Deshpande, Mandar, Green, Tim, Hassabis, Demis, Hatos, Andras, Hegedus, Tamas, Hekkelman, Maarten L, Joosten, Robbie, Jumper, John, Laydon, Agata, Molodenskiy, Dmitry, Piovesan, Damiano, Salladini, Edoardo, Salzberg, Steven L, Sommer, Markus J, Steinegger, Martin, Suhajda, Erzsebet, Svergun, Dmitri, Tenorio-Ku, Luiggi, Tosatto, Silvio, Tunyasuvunakool, Kathryn, Waterhouse, Andrew Mark, Žídek, Augustin, Schwede, Torsten, Orengo, Christine, Velankar, Sameer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709962/
https://www.ncbi.nlm.nih.gov/pubmed/36448847
http://dx.doi.org/10.1093/gigascience/giac118
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author Varadi, Mihaly
Nair, Sreenath
Sillitoe, Ian
Tauriello, Gerardo
Anyango, Stephen
Bienert, Stefan
Borges, Clemente
Deshpande, Mandar
Green, Tim
Hassabis, Demis
Hatos, Andras
Hegedus, Tamas
Hekkelman, Maarten L
Joosten, Robbie
Jumper, John
Laydon, Agata
Molodenskiy, Dmitry
Piovesan, Damiano
Salladini, Edoardo
Salzberg, Steven L
Sommer, Markus J
Steinegger, Martin
Suhajda, Erzsebet
Svergun, Dmitri
Tenorio-Ku, Luiggi
Tosatto, Silvio
Tunyasuvunakool, Kathryn
Waterhouse, Andrew Mark
Žídek, Augustin
Schwede, Torsten
Orengo, Christine
Velankar, Sameer
author_facet Varadi, Mihaly
Nair, Sreenath
Sillitoe, Ian
Tauriello, Gerardo
Anyango, Stephen
Bienert, Stefan
Borges, Clemente
Deshpande, Mandar
Green, Tim
Hassabis, Demis
Hatos, Andras
Hegedus, Tamas
Hekkelman, Maarten L
Joosten, Robbie
Jumper, John
Laydon, Agata
Molodenskiy, Dmitry
Piovesan, Damiano
Salladini, Edoardo
Salzberg, Steven L
Sommer, Markus J
Steinegger, Martin
Suhajda, Erzsebet
Svergun, Dmitri
Tenorio-Ku, Luiggi
Tosatto, Silvio
Tunyasuvunakool, Kathryn
Waterhouse, Andrew Mark
Žídek, Augustin
Schwede, Torsten
Orengo, Christine
Velankar, Sameer
author_sort Varadi, Mihaly
collection PubMed
description While scientists can often infer the biological function of proteins from their 3-dimensional quaternary structures, the gap between the number of known protein sequences and their experimentally determined structures keeps increasing. A potential solution to this problem is presented by ever more sophisticated computational protein modeling approaches. While often powerful on their own, most methods have strengths and weaknesses. Therefore, it benefits researchers to examine models from various model providers and perform comparative analysis to identify what models can best address their specific use cases. To make data from a large array of model providers more easily accessible to the broader scientific community, we established 3D-Beacons, a collaborative initiative to create a federated network with unified data access mechanisms. The 3D-Beacons Network allows researchers to collate coordinate files and metadata for experimentally determined and theoretical protein models from state-of-the-art and specialist model providers and also from the Protein Data Bank.
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spelling pubmed-97099622022-12-01 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources Varadi, Mihaly Nair, Sreenath Sillitoe, Ian Tauriello, Gerardo Anyango, Stephen Bienert, Stefan Borges, Clemente Deshpande, Mandar Green, Tim Hassabis, Demis Hatos, Andras Hegedus, Tamas Hekkelman, Maarten L Joosten, Robbie Jumper, John Laydon, Agata Molodenskiy, Dmitry Piovesan, Damiano Salladini, Edoardo Salzberg, Steven L Sommer, Markus J Steinegger, Martin Suhajda, Erzsebet Svergun, Dmitri Tenorio-Ku, Luiggi Tosatto, Silvio Tunyasuvunakool, Kathryn Waterhouse, Andrew Mark Žídek, Augustin Schwede, Torsten Orengo, Christine Velankar, Sameer Gigascience Technical Note While scientists can often infer the biological function of proteins from their 3-dimensional quaternary structures, the gap between the number of known protein sequences and their experimentally determined structures keeps increasing. A potential solution to this problem is presented by ever more sophisticated computational protein modeling approaches. While often powerful on their own, most methods have strengths and weaknesses. Therefore, it benefits researchers to examine models from various model providers and perform comparative analysis to identify what models can best address their specific use cases. To make data from a large array of model providers more easily accessible to the broader scientific community, we established 3D-Beacons, a collaborative initiative to create a federated network with unified data access mechanisms. The 3D-Beacons Network allows researchers to collate coordinate files and metadata for experimentally determined and theoretical protein models from state-of-the-art and specialist model providers and also from the Protein Data Bank. Oxford University Press 2022-11-30 /pmc/articles/PMC9709962/ /pubmed/36448847 http://dx.doi.org/10.1093/gigascience/giac118 Text en © The Author(s) 2022. Published by Oxford University Press GigaScience. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Technical Note
Varadi, Mihaly
Nair, Sreenath
Sillitoe, Ian
Tauriello, Gerardo
Anyango, Stephen
Bienert, Stefan
Borges, Clemente
Deshpande, Mandar
Green, Tim
Hassabis, Demis
Hatos, Andras
Hegedus, Tamas
Hekkelman, Maarten L
Joosten, Robbie
Jumper, John
Laydon, Agata
Molodenskiy, Dmitry
Piovesan, Damiano
Salladini, Edoardo
Salzberg, Steven L
Sommer, Markus J
Steinegger, Martin
Suhajda, Erzsebet
Svergun, Dmitri
Tenorio-Ku, Luiggi
Tosatto, Silvio
Tunyasuvunakool, Kathryn
Waterhouse, Andrew Mark
Žídek, Augustin
Schwede, Torsten
Orengo, Christine
Velankar, Sameer
3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title_full 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title_fullStr 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title_full_unstemmed 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title_short 3D-Beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
title_sort 3d-beacons: decreasing the gap between protein sequences and structures through a federated network of protein structure data resources
topic Technical Note
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709962/
https://www.ncbi.nlm.nih.gov/pubmed/36448847
http://dx.doi.org/10.1093/gigascience/giac118
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