moldrug/CITATION.cff at main · ale94mleon/moldrug · GitHub

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cff-version: 1.2.0
message: "If you use this software, please cite the following publication:"
preferred-citation:
  type: article
  authors:
    - family-names: "Martínez León"
      given-names: "Alejandro"
      orcid: "https://orcid.org/0009-0005-6162-7303"
    - family-names: "Ries"
      given-names: "Benjamin"
      orcid: "https://orcid.org/0000-0002-0945-8304"
    - family-names: "Hub"
      given-names: "Jochen S."
      orcid: "https://orcid.org/0000-0001-7716-1767"
    - family-names: "Magarkar"
      given-names: "Aniket"
      orcid: "https://orcid.org/0000-0003-3385-964X"
  title: "Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations"
  journal: "Journal of Cheminformatics"
  year: 2025
  month: 5
  day: 26
  number: 85
  volume: 17
  start: 1 # First page number
  end: 22 # Last page number