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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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Detalles Bibliográficos
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
Descripción
Sumario: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.