Author

Benjamin J. Shields

SandboxAQORCID 0000-0002-3825-0211Unclaimed 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:drug response / drug discovery· 2 Approach:deep learning· 1 Approach:graph neural network· 1 Approach:machine learning (classical)· 1 Assay:protein structure· 1 Approach:statistical model· 1

Frequent Co-Authors

Romelia Salomón–FerreriD· 2 shared AJ Nish· 1 shared Alexander C. BrueckneriD· 1 shared Ali SalahpouriD· 1 shared Andrea BortolatoiD· 1 shared Anshumali MittaliD· 1 shared Gary Wright MilleriD· 1 shared Jennifer A. SchreiberiD· 1 shared

Activity by Year

2025-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 31 mutual co-author links

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2 shared papersNeuroscience

Romelia Salomón–FerrerORCID

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2 papers

Recent·Most cited

NeurosciencebioRxivPreprintSep 22, 2026

Discovery of Selective Small-Molecule Ligands of SV2C by AI-Enhanced Virtual Screening and Experimental Validation

Alexander C. Brueckner, Matthew F. Martin, Sheenam Khuttan…·Gary Wright Miller

This paper identifies selective SV2C ligands using AI-enhanced virtual screening and experimental validation, finding 22 active molecules with high selectivity over SV2A and SV2B.

DOI 10.64898/2026.08.11.744237

machine learning (classical)drug response / drug discovery

𝕏 PostBluesky

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

𝕏 PostBluesky