Author

Karel J. van der Weg

Forschungszentrum JülichORCID 0000-0002-1896-0291Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Assay:protein structure· 2 Research Focus:database / resource· 1 Approach:experimental assay· 1 Approach:graph neural network· 1 Research Focus:protein structure prediction· 1 Approach:statistical model· 1

Frequent Co-Authors

Holger GohlkeiD· 2 shared Erinç MerdivaniD· 1 shared Marie PiraudiD· 1 shared

Activity by Year

2023-2024 · peak 1/yr

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3 top collaborators · 3 mutual co-author links

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2 shared papersBioinformatics

Holger GohlkeORCID

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2 papers

Recent·Most cited

BioinformaticsbioRxivPreprintJan 31, 2024

TopEC: Improved classification of enzyme function by a localized 3D protein descriptor and 3D Graph Neural Networks

Karel J. van der Weg, Erinç Merdivan, Marie Piraud, Holger Gohlke

TopEC improves enzyme function classification using 3D graph neural networks and a localized 3D descriptor, achieving high accuracy in EC class prediction.

2 citations

protein structuregraph neural network

BioinformaticsBioinformaticsPeer-reviewedMar 1, 2023

TopEnzyme: A framework and database for structural coverage of the functional enzyme space

Karel J. van der Weg, Holger Gohlke

TopEnzyme provides a database of structural enzyme models, offering representative models for 60% of known enzyme functions and comparing TopModel and AlphaFold2 performance.

8 citations

protein structurestatistical model