Author

S. Gahbauer

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

Biology Disciplines

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Biochemistry· 2 Biophysics· 2 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Organism:virus· 4 Approach:deep learning· 3 Research Focus:drug response / drug discovery· 3 Assay:structural biology· 3 Approach:experimental assay· 2 Approach:statistical model· 2 Research Focus:host-pathogen & immune response· 1 Organism:mouse· 1

Frequent Co-Authors

B. K. Shoichet· 3 shared G. J. Correy· 3 shared A. Ashworth· 2 shared A. E. Cohen· 2 shared A. R. Renslo· 2 shared D. FearoniD· 2 shared G. Meigs· 2 shared J. J. Irwin· 2 shared

Activity by Year

2020-2023 · peak 3/yr

Co-Author Collaboration Network

10 top collaborators · 36 mutual co-author links

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3 shared papersBiophysics

B. K. Shoichet

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Author profile →

5 papers

Recent·Most cited

Structure-Based Discovery of a NPFF1R Antagonist with Analgesic Activity

B. J. Bender, J. E. Pickett, J. Braz, H. J. Kang, S. Gahbauer, K. Bhardwaj, S. Rodriguez-Rosado, Y. Liu, M. Jain, A. Basbaum, B. L. Roth, B. K. Shoichet

This paper identifies a selective NPFF1R antagonist with analgesic properties, showing enhanced pain relief when combined with morphine and reduced side effects.

bioRxiv · Oct 25, 2023 · PreprintPharmacology & Toxicology

Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

E. A. Fink, C. Bardine, S. Gahbauer, I. Singh, K. White, S. Gu, X. Wan, B. Ary, I. Glenn, J. O'Connell, H. O'Donnell, P. Fajtova, J. Lyu, S. Vigneron, N. J. Young, , C. S. Craik

The paper identifies novel non-covalent and covalent inhibitors of SARS-CoV-2 main protease through virtual docking and experimental validation.

bioRxiv · Jul 5, 2022Biophysics

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

S. Gahbauer, G. J. Correy, M. Schuller, M. P. Ferla, Y. U. Doruk, M. Rachman, T. Wu, M. Diolaiti, S. Wang, J. Neitz, D. Fearon, D. S. Radchenko, Y. Moroz, J. J. Irwin, A. R. Renslo, , J. S. Fraser

The paper computationally designs and experimentally validates potent inhibitors of the SARS-CoV-2 Nsp3 Macrodomain, identifying 160 ligands and 152 crystal structures with submicromolar affinity.

bioRxiv · Jun 27, 2022Biophysics

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature

G. J. Correy, D. W. Kneller, G. Phillips, S. Pant, S. Russi, A. E. Cohen, G. Meigs, J. M. Holton, S. Gahbauer, M. C. Thompson, A. Ashworth, L. Coates, A. Kovalevsky, F. Meilleur, J. S. Fraser

This study determines the crystal structures of SARS-CoV-2 NSP3 macrodomain using neutron and X-ray diffraction, revealing insights into its catalytic mechanism and ligand binding.

bioRxiv · Feb 7, 2022Biochemistry

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

M. Schuller, G. J. Correy, S. Gahbauer, D. Fearon, T. Wu, R. E. Diaz, I. D. Young, L. Carvalho Martins, D. H. Smith, U. Schulze-Gahmen, T. W. Owens, I. Deshpande, G. E. Merz, A. C. Thwin, J. T. Biel, , Smi

The paper identifies new chemical fragments binding to the SARS-CoV-2 Nsp3 macrodomain through crystallographic screening and computational docking, validating their binding with biophysical techniques.

bioRxiv · Nov 24, 2020Biochemistry