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%0 Journal Article %A van der Weg, Karel %A Merdivan, Erinc %A Piraud, Marie %A Gohlke, Holger %T TopEC: prediction of Enzyme Commission classes by 3D graph neural networks and localized 3D protein descriptor %J Nature Communications %V 16 %N 1 %@ 2041-1723 %C [London] %I Springer Nature %M FZJ-2025-02043 %P 2737 %D 2025 %F PUB:(DE-HGF)16 %9 Journal Article %$ 40108108 %U <Go to ISI:>//WOS:001469448400003 %R 10.1038/s41467-025-57324-5 %U https://juser.fz-juelich.de/record/1040890