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PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening

Correy, Galen J.; Fraser, James S.


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  <identifier identifierType="DOI">10.5281/zenodo.6688239</identifier>
  <creators>
    <creator>
      <creatorName>Correy, Galen J.</creatorName>
      <givenName>Galen J.</givenName>
      <familyName>Correy</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5155-7325</nameIdentifier>
      <affiliation>University of California, San Francisco</affiliation>
    </creator>
    <creator>
      <creatorName>Fraser, James S.</creatorName>
      <givenName>James S.</givenName>
      <familyName>Fraser</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-5080-2859</nameIdentifier>
      <affiliation>University of California, San Francisco</affiliation>
    </creator>
  </creators>
  <titles>
    <title>PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2022</publicationYear>
  <subjects>
    <subject>SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2022-06-27</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/6688239</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.6688238</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This deposition contains the X-ray diffraction datasets used to run PanDDA&amp;nbsp;in the&amp;nbsp;ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in Gahbauer et al. 2022.&amp;nbsp;&lt;/p&gt;

&lt;p&gt;A description of the files can be found in the README&amp;nbsp;file.&amp;nbsp;&lt;/p&gt;</description>
  </descriptions>
</resource>
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