Dataset Open Access
Correy, Galen J.;
Fraser, James S.
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"> <identifier identifierType="DOI">10.5281/zenodo.6808218</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/6808218</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"><p>This deposition contains the X-ray diffraction datasets used to run PanDDA&nbsp;in the&nbsp;ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in Gahbauer et al. 2022 (doi: https://doi.org/10.1101/2022.06.27.497816).</p> <p>A description of the files can be found in the README&nbsp;file.&nbsp;</p></description> </descriptions> </resource>
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