Author

Steven V. Jerome

Schrodinger (United States)ORCID 0000-0001-7510-9682Unclaimed 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· 2 Research Focus:drug response / drug discovery· 2 Research Focus:benchmarking· 1 Approach:experimental assay· 1 Approach:statistical model· 1

Frequent Co-Authors

Brian K. ShoichetiD· 1 shared Charles L. BrooksiD· 1 shared Da ShiiD· 1 shared Fangyu LiuiD· 1 shared Isabella GlenniD· 1 shared Jumana DakkaiD· 1 shared Karla Fonseca-ValenciaiD· 1 shared Kun Yao· 1 shared

Activity by Year

2024-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 21 mutual co-author links

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1 shared paperBiophysics

Brian K. ShoichetORCID

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2 papers

Recent·Most cited

DiffDock-Glide: a hybrid physics-based and data-driven approach to molecular docking

Lukas Herron, Jumana Dakka, Kun Yao, Da Shi, Yuqi Zhang, Steven V. Jerome

DiffDock-Glide improves molecular docking by combining a diffusion model with Glide's post-docking minimization, showing better performance on novel targets.

Journal of Chemical Information and Modeling · Apr 23, 2026Peer-reviewedMolecular Biology

Identifying Artifacts from Large Library Docking

Yujin Wu, Fangyu Liu, Isabella Glenn, Karla Fonseca-Valencia, Lu Paris, Yuyue Xiong, Steven V. Jerome, Charles L. Brooks, Brian K. Shoichet

The paper identifies docking artifacts in large library screens by rescoring top-ranked molecules with orthogonal methods, finding that 39 predicted cheaters failed experimental testing while 57% of plausible actives showed inhibition.

Journal of Medicinal Chemistry · Sep 10, 2024Peer-reviewedBiophysics