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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Bibliographic Details
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
Description
Summary: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).

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