Author

Stavros Theodorakis

ORCID 0000-0002-8282-3558Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1 Approach:graph neural network· 1 Approach:machine learning (classical)· 1 Assay:protein structure· 1

Frequent Co-Authors

Agamemnon KrasoulisiD· 1 shared Nick AntonopoulosiD· 1 shared Vassilis PitsikalisiD· 1 shared

Activity by Year

2022-2022 · peak 1/yr

Co-Author Collaboration Network

3 top collaborators · 3 mutual co-author links

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1 shared paperBioinformatics

Agamemnon KrasoulisORCID

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1 paper

Recent·Most cited

DENVIS: scalable and high-throughput virtual screening using graph neural networks with atomic and surface protein pocket features

Agamemnon Krasoulis, Nick Antonopoulos, Vassilis Pitsikalis, Stavros Theodorakis

DENVIS is a virtual screening method using graph neural networks that outperforms docking-based and sequence-based models by avoiding docking steps and using atomic and surface protein features.

Journal of Chemical Information and Modeling · Sep 26, 2022Peer-reviewedBioinformatics