ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

The dataset contains the following files: arctic3d-localise.zip contains an example application of arctic3d-localise to the SUMO-1 protein, uniprot ID P63165 arctic3d-P00760.zip containts the results of the application of ARCTIC-3D to uniprot ID P00760 bm5-dataset-execution.zip contains theARCTIC-3D...

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Main Authors: Marco Giulini, Rodrigo V. Honorato, Jesús L. Rivera, Alexandre M.J.J. Bonvin
Format: Article in Journal/Newspaper
Language:English
Published: Zenodo 2023
Subjects:
clustering
protein interfaces
interface information
recognition entropy
Arctic
Online Access:https://doi.org/10.5281/zenodo.8131701
id ftzenodo:oai:zenodo.org:8131701
record_format openpolar
spelling ftzenodo:oai:zenodo.org:8131701 2024-09-09T19:20:21+00:00 ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information Marco Giulini Rodrigo V. Honorato Jesús L. Rivera Alexandre M.J.J. Bonvin 2023-07-10 https://doi.org/10.5281/zenodo.8131701 eng eng Zenodo https://zenodo.org/communities/eu https://doi.org/10.5281/zenodo.8131700 https://doi.org/10.5281/zenodo.8131701 oai:zenodo.org:8131701 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode clustering protein interfaces interface information recognition entropy info:eu-repo/semantics/article 2023 ftzenodo https://doi.org/10.5281/zenodo.813170110.5281/zenodo.8131700 2024-07-26T05:42:28Z The dataset contains the following files: arctic3d-localise.zip contains an example application of arctic3d-localise to the SUMO-1 protein, uniprot ID P63165 arctic3d-P00760.zip containts the results of the application of ARCTIC-3D to uniprot ID P00760 bm5-dataset-execution.zip contains theARCTIC-3D runs for a subset of the BM5 dataset, as explained in the paper data_driven_docking.tgz contains the example usage of ARCTIC-3D-derived information in the context of data-driven docking. The subfolder arctic3d-restraints-P00761-P01070 is the output of the arctic3d-restraints CLI, while the subfolder run1-multiple-ambig-test contains the docking results uniprot_arctic3d_*.tgz : several zipped files containingARCTIC-3D runs for 23446 unique proteins in the UNIPROT database This project has received funding from the European Union Horizon 2020, projects BioExcel (823830 and 101093290) and EGI-ACE (101017567), and from the Netherlands e-Science Center (027.020.G13). Article in Journal/Newspaper Arctic Zenodo Arctic
institution Open Polar
collection Zenodo
op_collection_id ftzenodo
language English
topic clustering
protein interfaces
interface information
recognition entropy
spellingShingle clustering
protein interfaces
interface information
recognition entropy
Marco Giulini
Rodrigo V. Honorato
Jesús L. Rivera
Alexandre M.J.J. Bonvin
ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
topic_facet clustering
protein interfaces
interface information
recognition entropy
description The dataset contains the following files: arctic3d-localise.zip contains an example application of arctic3d-localise to the SUMO-1 protein, uniprot ID P63165 arctic3d-P00760.zip containts the results of the application of ARCTIC-3D to uniprot ID P00760 bm5-dataset-execution.zip contains theARCTIC-3D runs for a subset of the BM5 dataset, as explained in the paper data_driven_docking.tgz contains the example usage of ARCTIC-3D-derived information in the context of data-driven docking. The subfolder arctic3d-restraints-P00761-P01070 is the output of the arctic3d-restraints CLI, while the subfolder run1-multiple-ambig-test contains the docking results uniprot_arctic3d_*.tgz : several zipped files containingARCTIC-3D runs for 23446 unique proteins in the UNIPROT database This project has received funding from the European Union Horizon 2020, projects BioExcel (823830 and 101093290) and EGI-ACE (101017567), and from the Netherlands e-Science Center (027.020.G13).
format Article in Journal/Newspaper
author Marco Giulini
Rodrigo V. Honorato
Jesús L. Rivera
Alexandre M.J.J. Bonvin
author_facet Marco Giulini
Rodrigo V. Honorato
Jesús L. Rivera
Alexandre M.J.J. Bonvin
author_sort Marco Giulini
title ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
title_short ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
title_full ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
title_fullStr ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
title_full_unstemmed ARCTIC-3D: Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
title_sort arctic-3d: automatic retrieval and clustering of interfaces in complexes from 3d structural information
publisher Zenodo
publishDate 2023
url https://doi.org/10.5281/zenodo.8131701
geographic Arctic
geographic_facet Arctic
genre Arctic
genre_facet Arctic
op_relation https://zenodo.org/communities/eu
https://doi.org/10.5281/zenodo.8131700
https://doi.org/10.5281/zenodo.8131701
oai:zenodo.org:8131701
op_rights info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
op_doi https://doi.org/10.5281/zenodo.813170110.5281/zenodo.8131700
_version_ 1809760485636046848

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