DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles

• Giulio Tesei ,

  Contributed equally to this work with: Giulio Tesei, João M. Martins

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark

  https://orcid.org/0000-0003-4339-4460

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• João M. Martins ,

  Contributed equally to this work with: Giulio Tesei, João M. Martins

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark

  https://orcid.org/0000-0003-3053-3775

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• Micha B. A. Kunze,

  Roles Conceptualization, Data curation, Investigation, Methodology, Project administration, Software, Supervision, Validation, Writing – original draft, Writing – review & editing

  Affiliation Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark

  https://orcid.org/0000-0001-8922-5510

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• Yong Wang,

  Roles Data curation, Writing – review & editing

  Affiliation Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark

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• Ramon Crehuet,

  Roles Funding acquisition, Investigation, Methodology, Software, Validation, Writing – review & editing

  Affiliations Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark, CSIC-Institute for Advanced Chemistry of Catalonia (IQAC), Barcelona, Spain

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• Kresten Lindorff-Larsen

  Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing

  * E-mail: lindorff@bio.ku.dk

  Affiliation Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark

  https://orcid.org/0000-0002-4750-6039

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