Author

Nicola De Mitri

SandboxAQORCID 0000-0002-7127-9585Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:graph neural network· 1 Assay:protein structure· 1 Approach:statistical model· 1

Frequent Co-Authors

AJ Nish· 1 shared Benjamin J. ShieldsiD· 1 shared Jordan E. Crivelli-DeckeriD· 1 shared Maarten Van Damme· 1 shared Martin Ganahl· 1 shared Pablo LemosiD· 1 shared Paul Abruzzo· 1 shared Punit K. JhaiD· 1 shared

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2025-2025 · peak 1/yr

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1 shared paperBiochemistry

AJ Nish

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1 paper

Recent·Most cited

BiochemistrybioRxivPreprintJun 17, 2025

SAIR: Enabling deep learning for protein-ligand lnteractions with a synthetic structural dataset

Pablo Lemos, Zane Beckwith, Sasaank Bandi…·Martin Ganahl

The paper introduces SAIR, a synthetic dataset of protein-ligand structures with activity data, to improve deep learning models for binding affinity prediction.

10 citations

protein structuredeep learning

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