April 14, 2021 Dataset Open Access

Stefan Gahbauer; Brian Shoichet

JSON Export

{
  "files": [
    {
      "links": {
        "self": "https://zenodo.org/api/files/aaa5afbc-fec8-4c2f-a0fd-a1debedc8019/Docking.gz"
      }, 
      "checksum": "md5:6d8cc9f73ead71da4cb84fe9f0baf632", 
      "bucket": "aaa5afbc-fec8-4c2f-a0fd-a1debedc8019", 
      "key": "Docking.gz", 
      "type": "gz", 
      "size": 388567588
    }
  ], 
  "owners": [
    194004
  ], 
  "doi": "10.5281/zenodo.4606901", 
  "stats": {
    "version_unique_downloads": 3.0, 
    "unique_views": 46.0, 
    "views": 47.0, 
    "version_views": 47.0, 
    "unique_downloads": 3.0, 
    "version_unique_views": 46.0, 
    "volume": 1165702764.0, 
    "version_downloads": 3.0, 
    "downloads": 3.0, 
    "version_volume": 1165702764.0
  }, 
  "links": {
    "doi": "https://doi.org/10.5281/zenodo.4606901", 
    "conceptdoi": "https://doi.org/10.5281/zenodo.4606900", 
    "bucket": "https://zenodo.org/api/files/aaa5afbc-fec8-4c2f-a0fd-a1debedc8019", 
    "conceptbadge": "https://zenodo.org/badge/doi/10.5281/zenodo.4606900.svg", 
    "html": "https://zenodo.org/record/4606901", 
    "latest_html": "https://zenodo.org/record/4606901", 
    "badge": "https://zenodo.org/badge/doi/10.5281/zenodo.4606901.svg", 
    "latest": "https://zenodo.org/api/records/4606901"
  }, 
  "conceptdoi": "10.5281/zenodo.4606900", 
  "created": "2021-04-21T17:27:08.713196+00:00", 
  "updated": "2021-04-24T02:10:52.272177+00:00", 
  "conceptrecid": "4606900", 
  "revision": 3, 
  "id": 4606901, 
  "metadata": {
    "access_right_category": "success", 
    "doi": "10.5281/zenodo.4606901", 
    "description": "<p>This directory contains all files required to perform the docking screens presented in the manuscript.</p>\n\n<p>Docking was performed with DOCK3.7 which can be downloaded free of charge for academic users at:&nbsp;<br>\nhttp://dock.compbio.ucsf.edu</p>\n\n<p>Files included in this directory:</p>\n\n<p>dockfiles/<br>\n-contains all required input files for DOCK3.7 to run docking.</p>\n\n<p>INDOCK<br>\n-list of DOCK3.7 parameters</p>\n\n<p>ZINC15_fragments_20200422.sdi<br>\n-list of tranches for the entire ZINC15 fragment screen downloaded from http://zinc15.docking.org on April 22 2020.</p>\n\n<p>ZINC15_instock_fragments_20200513.sdi<br>\n-list of tranches for the ZINC15 in-stock fragment screen downloaded from http://zinc15.docking.org on May 13 2020.</p>\n\n<p>extract_all.sort.uniq.ZINC15-fragments.txt<br>\nextract_all.sort.uniq.ZINC15-in-stock.txt<br>\nextract_all.sort.uniq.in-human.txt<br>\n-Rank-ordered lists of docked compounds from different library screens</p>\n\n<p>Contact:<br>\nstefan.gahbauer@ucsf.edu</p>", 
    "license": {
      "id": "CC-BY-4.0"
    }, 
    "title": "Docking fragment screen against Nsp3 macrodomain of SARS-CoV-2", 
    "journal": {
      "volume": "7", 
      "issue": "16", 
      "title": "Science Advances"
    }, 
    "relations": {
      "version": [
        {
          "count": 1, 
          "index": 0, 
          "parent": {
            "pid_type": "recid", 
            "pid_value": "4606900"
          }, 
          "is_last": true, 
          "last_child": {
            "pid_type": "recid", 
            "pid_value": "4606901"
          }
        }
      ]
    }, 
    "publication_date": "2021-04-14", 
    "creators": [
      {
        "orcid": "0000-0002-3115-9757", 
        "affiliation": "University of California, San Francisco", 
        "name": "Stefan Gahbauer"
      }, 
      {
        "orcid": "0000-0002-6098-7367", 
        "affiliation": "University of California, San Francisco", 
        "name": "Brian Shoichet"
      }
    ], 
    "access_right": "open", 
    "resource_type": {
      "type": "dataset", 
      "title": "Dataset"
    }, 
    "related_identifiers": [
      {
        "scheme": "handle", 
        "identifier": "10.1101/2020.11.24.393405v1", 
        "relation": "isSupplementTo", 
        "resource_type": "publication-preprint"
      }, 
      {
        "scheme": "doi", 
        "identifier": "10.1126/sciadv.abf8711", 
        "relation": "isSupplementTo", 
        "resource_type": "publication-article"
      }, 
      {
        "scheme": "doi", 
        "identifier": "10.5281/zenodo.4606900", 
        "relation": "isVersionOf"
      }
    ]
  }
}