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TopEC: prediction of Enzyme Commission classes by 3D graph neural networks and localized 3D protein descriptor

Abstract Tools available for inferring enzyme function from general sequence, fold, or evolutionary information are generally successful. However, they can lead to misclassification if a deviation in local structural features influences the function. Here, we present TopEC, a 3D graph neural network...

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Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Karel van der Weg, Erinc Merdivan, Marie Piraud, Holger Gohlke
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Nature Portfolio 2025-03-01
Saila:Nature Communications
Sarrera elektronikoa:https://doi.org/10.1038/s41467-025-57324-5
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