| A practical guide to large-scale docking BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ... Nature protocols 16 (10), 4799-4832, 2021 | 405 | 2021 |
| Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking M Schuller, GJ Correy, S Gahbauer, D Fearon, T Wu, RE Díaz, ID Young, ... Science advances 7 (16), eabf8711, 2021 | 158 | 2021 |
| Membrane-mediated oligomerization of G protein coupled receptors and its implications for GPCR function S Gahbauer, RA Böckmann Frontiers in physiology 7, 494, 2016 | 145 | 2016 |
| Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor EA Fink, J Xu, H Hübner, JM Braz, P Seemann, C Avet, V Craik, D Weikert, ... Science 377 (6614), eabn7065, 2022 | 95 | 2022 |
| Dynamic cholesterol-conditioned dimerization of the G protein coupled chemokine receptor type 4 K Pluhackova, S Gahbauer, F Kranz, TA Wassenaar, RA Böckmann PLoS computational biology 12 (11), e1005169, 2016 | 94 | 2016 |
| Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2 S Gahbauer, GJ Correy, M Schuller, MP Ferla, YU Doruk, M Rachman, ... Proceedings of the National Academy of Sciences 120 (2), e2212931120, 2023 | 84 | 2023 |
| Closely related, yet unique: Distinct homo-and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol S Gahbauer, K Pluhackova, RA Böckmann PLoS Computational Biology 14 (3), e1006062, 2018 | 49 | 2018 |
| Oxidative stress-induced STIM2 cysteine modifications suppress store-operated calcium entry CS Gibhardt, S Cappello, R Bhardwaj, R Schober, SA Kirsch, ZB Del Rio, ... Cell reports 33 (3), 2020 | 36 | 2020 |
| The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature GJ Correy, DW Kneller, G Phillips, S Pant, S Russi, AE Cohen, G Meigs, ... Science advances 8 (21), eabo5083, 2022 | 35 | 2022 |
| Comprehensive characterization of lipid-guided G protein-coupled receptor dimerization S Gahbauer, RA Böckmann The Journal of Physical Chemistry B 124 (14), 2823-2834, 2020 | 25 | 2020 |
| Large library docking for novel SARS‐CoV‐2 main protease non‐covalent and covalent inhibitors EA Fink, C Bardine, S Gahbauer, I Singh, TC Detomasi, K White, S Gu, ... Protein Science 32 (8), e4712, 2023 | 22 | 2023 |
| Docking for EP4R antagonists active against inflammatory pain S Gahbauer, C DeLeon, JM Braz, V Craik, HJ Kang, X Wan, XP Huang, ... Nature communications 14 (1), 8067, 2023 | 13 | 2023 |
| Fragmenstein: predicting protein–ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology MP Ferla, R Sánchez-García, RE Skyner, S Gahbauer, JC Taylor, ... Journal of Cheminformatics 17 (1), 4, 2025 | 6 | 2025 |
| Structure-based inhibitor optimization for the Nsp3 Macrodomain of SARS-CoV-2 S Gahbauer, GJ Correy, M Schuller, MP Ferla, YU Doruk, M Rachman, ... | 4 | 2022 |
| The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature. bioRxiv. 2022 GJ Correy, DW Kneller, G Phillips, S Pant, S Russi, AE Cohen, G Meigs, ... Epub 2022/02/17. doi: 10.1101/2022.02. 07.479477. PubMed PMID: 35169801, 0 | 4 | |
| Publisher Correction: A practical guide to large-scale docking BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ... Nature protocols 17 (1), 177, 2022 | 3 | 2022 |
| A practical guide to large-scale docking (vol 16, pg 4799, 2021) BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ... NATURE PROTOCOLS 17 (1), 177-177, 2022 | 2 | 2022 |
| Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning GJ Correy, M Rachman, T Togo, S Gahbauer, YU Doruk, M Stevens, ... bioRxiv, 2024 | 1 | 2024 |
| Homo-and heterodimerization of G protein coupled chemokine receptors S Gahbauer, K Pluhackova, RA Bockmann Eur. Biophys. J. Biophys. Lett 46, S375, 2017 | 1 | 2017 |
| Large library docking and biophysical analysis of small molecule TMPRSS2 inhibitors B Fraser, N Young, B Bender, S Gahbauer, O Ilyassov, R Wilson, Y Li, ... | | 2024 |
Brian ShoichetProfessor of Pharmaceutical Chemistry, University of California, San FranciscoEmail yang diverifikasi di cgl.ucsf.edu
