Author

Brian P. Kelley

Relay Therapeutics (United States)

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

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Biophysics· 1

Signature Assays, Organisms & Methods

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Research Focus:database / resource· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1 Approach:machine learning (classical)· 1 Assay:protein structure· 1 Approach:simulation· 1 Research Focus:software / tool· 1

Frequent Co-Authors

Adam R. RensloiD· 1 shared Alan AshworthiD· 1 shared Brian B. GoldmaniD· 1 shared Brian K. ShoichetiD· 1 shared Dmytro S. RadchenkoiD· 1 shared G. J. CorreyiD· 1 shared James S. FraseriD· 1 shared Maisie GV StevensiD· 1 shared

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2025-2025 · peak 1/yr

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10 top collaborators · 45 mutual co-author links

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1 shared paperBiophysics

Adam R. RensloORCID

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1 paper

Recent·Most cited

Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning

G. J. Correy, Moira M. Rachman, Takaya Togo, Stefan Gahbauer, Yagmur Umay Doruk, Maisie GV Stevens, Priyadarshini Jaishankar, Brian P. Kelley, Brian B. Goldman, Molly Schmidt, Trevor Kramer, Dmytro S. Radchenko, Yurii S. Moroz, Alan Ashworth, Patrick Riley, , James S. Fraser

Shape-based fragment merging (FrankenROCS) with Thompson sampling over 22 billion molecules found neutral SARS-CoV-2 macrodomain inhibitors; analogs reached single-digit micromolar IC50, backed by 137 crystal structures.

Science Advances · May 28, 2025Peer-reviewedBiophysics✦ In-depth digest