Software Open Access

HADDOCK v3.0.alpha2

Rodrigo Honorato; Brian Jiménez-García; Alexandre Bonvin


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  <identifier identifierType="DOI">10.5281/zenodo.3883889</identifier>
  <creators>
    <creator>
      <creatorName>Rodrigo Honorato</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5267-3002</nameIdentifier>
      <affiliation>Utrecht University</affiliation>
    </creator>
    <creator>
      <creatorName>Brian Jiménez-García</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-7786-2109</nameIdentifier>
      <affiliation>Utrecht University</affiliation>
    </creator>
    <creator>
      <creatorName>Alexandre Bonvin</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-7369-1322</nameIdentifier>
      <affiliation>Utrecht University</affiliation>
    </creator>
  </creators>
  <titles>
    <title>HADDOCK v3.0.alpha2</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>macromolecular docking</subject>
    <subject>HADDOCK</subject>
    <subject>integrative modelling</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-06-07</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3883889</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3883888</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/bioexcel</relatedIdentifier>
  </relatedIdentifiers>
  <version>v3.0.alpha2</version>
  <rightsList>
    <rights rightsURI="https://opensource.org/licenses/Apache-2.0">Apache License 2.0</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;HADDOCK v3.0 is a bottom-up re-imagination of the long standing time-proven &lt;a href="http://www.bonvinlab.org/software"&gt;HADDOCK&lt;/a&gt; used for integrative modelling of biomolecular complexes which aims to modularize and extend HADDOCK&amp;#39;s core functions.&lt;/p&gt;

&lt;p&gt;It currently lacks the full repertoire of features present at the production version, &lt;a href="https://wenmr.science.uu.nl/haddock2.4/"&gt;HADDOCK v2.4&lt;/a&gt;. However it is able to take full advantage of the ambiguous interaction restraints (AIRs) to drive the docking process.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/823830/">823830</awardNumber>
      <awardTitle>BioExcel-2 Centre of Excellence for Computational Biomolecular Research</awardTitle>
    </fundingReference>
  </fundingReferences>
</resource>
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