| Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease A Douangamath, D Fearon, P Gehrtz, T Krojer, P Lukacik, CD Owen, ... Nature communications 11 (1), 5047, 2020 | 436 | 2020 |
| SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ... Cell Stem Cell 29 (2), 217-231. e8, 2022 | 172 | 2022 |
| Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase JA Newman, A Douangamath, S Yadzani, Y Yosaatmadja, A Aimon, ... Nature communications 12 (1), 4848, 2021 | 156 | 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 | 127 | 2021 |
| An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor D Zaidman, P Gehrtz, M Filep, D Fearon, R Gabizon, A Douangamath, ... Cell chemical biology 28 (12), 1795-1806. e5, 2021 | 60 | 2021 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, GM Morris BioRxiv, 2020 | 53 | 2020 |
| A crystallographic snapshot of SARS-CoV-2 main protease maturation process GD Noske, AM Nakamura, VO Gawriljuk, RS Fernandes, GMA Lima, ... Journal of Molecular Biology 433 (18), 167118, 2021 | 51 | 2021 |
| 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 | 49 | 2023 |
| Exploring protein hotspots by optimized fragment pharmacophores D Bajusz, WS Wade, G Satała, AJ Bojarski, J Ilaš, J Ebner, F Grebien, ... Nature Communications 12 (1), 3201, 2021 | 38 | 2021 |
| Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ... BioRxiv, 2020.10. 29.339317, 2020 | 36 | 2020 |
| Achieving efficient fragment screening at XChem facility at diamond light source A Douangamath, A Powell, D Fearon, PM Collins, R Talon, T Krojer, ... JoVE (Journal of Visualized Experiments), e62414, 2021 | 32 | 2021 |
| Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19 MA Redhead, CD Owen, L Brewitz, AH Collette, P Lukacik, ... Scientific reports 11 (1), 13208, 2021 | 31 | 2021 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 25 | 2023 |
| Synthesis and profiling of a 3-aminopyridin-2-one-based kinase targeted fragment library: Identification of 3-amino-5-(pyridin-4-yl) pyridin-2 (1H)-one scaffold for monopolar … D Fearon, IM Westwood, RLM van Montfort, R Bayliss, K Jones, ... Bioorganic & Medicinal Chemistry 26 (11), 3021-3029, 2018 | 14 | 2018 |
| PanDDA Analysis Group. Deposition–crystal structure of COVID-19 main protease in complex with Z219104216 D Fearon, AJ Powell, A Douangamath, CD Owen, C Wild, T Krojer, ... Protein Data Base 10, 2020 | 13 | 2020 |
| SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) C Owen, P Lukacik, C Strain-Damerell, A Douangamath, A Powell, ... PDB Entry, 2020 | 12 | 2020 |
| COVID-19 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, SARS-CoV-2) CD Owen, P Lukacik, CM Strain-Damerell, A Douangamath, AJ Powell, ... RCSB Protein Data Bank (PDB) ID: 6Y84, 3-7, 2020 | 12 | 2020 |
| Accelerating drug target inhibitor discovery with a deep generative foundation model V Chenthamarakshan, SC Hoffman, CD Owen, P Lukacik, ... Science Advances 9 (25), eadg7865, 2023 | 11 | 2023 |
| PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen D Fearon, CD Owen, A Douangamath, P Lukacik, AJ Powell, ... Nat. Commun 11, 5047, 2020 | 11 | 2020 |
| PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library D Fearon, AJ Powell, A Douangamath, CD Owen, C Wild, T Krojer, ... PDB ID: 5R82, 2020 | 9 | 2020 |
