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@ARTICLE{vanderWeg:1040890,
      author       = {van der Weg, Karel and Merdivan, Erinc and Piraud, Marie
                      and Gohlke, Holger},
      title        = {{T}op{EC}: prediction of {E}nzyme {C}ommission classes by
                      3{D} graph neural networks and localized 3{D} protein
                      descriptor},
      journal      = {Nature Communications},
      volume       = {16},
      number       = {1},
      issn         = {2041-1723},
      address      = {[London]},
      publisher    = {Springer Nature},
      reportid     = {FZJ-2025-02043},
      pages        = {2737},
      year         = {2025},
      cin          = {IBG-4},
      ddc          = {500},
      cid          = {I:(DE-Juel1)IBG-4-20200403},
      pnm          = {2171 - Biological and environmental resources for
                      sustainable use (POF4-217)},
      pid          = {G:(DE-HGF)POF4-2171},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {40108108},
      UT           = {WOS:001469448400003},
      doi          = {10.1038/s41467-025-57324-5},
      url          = {https://juser.fz-juelich.de/record/1040890},
}