| 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 | 15 | 2023 |
| Accelerating Inhibitor Discovery for Multiple SARS-CoV-2 Targets with a Single, Sequence-Guided Deep Generative Framework V Chenthamarakshan, S Hoffman, CD Owen, P Lukacik, ... | | 2022 |
| AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity In Vitro LC Saramago, MV Santana, BF Gomes, RF Dantas, MR Senger, ... Journal of Chemical Information and Modeling 63 (9), 2866-2880, 2023 | 7 | 2023 |
| Alkyne derivatives of SARS-CoV-2 main protease inhibitors including nirmatrelvir inhibit by reacting covalently with the Nucleophilic Cysteine L Brewitz, L Dumjahn, Y Zhao, CD Owen, SM Laidlaw, TR Malla, ... Journal of Medicinal Chemistry 66 (4), 2663-2680, 2023 | 35 | 2023 |
| 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 | 61 | 2021 |
| Application of in situ diffraction in high-throughput structure determination platforms P Aller, J Sanchez-Weatherby, J Foadi, G Winter, CMC Lobley, D Axford, ... Structural Proteomics: High-Throughput Methods, 233-253, 2015 | 23 | 2015 |
| Autotransporter structure reveals intra-barrel cleavage followed by conformational changes TJ Barnard, N Dautin, P Lukacik, HD Bernstein, SK Buchanan Nature structural & molecular biology 14 (12), 1214-1220, 2007 | 203 | 2007 |
| Biological activity, membrane‐targeting modification, and crystallization of soluble human decay accelerating factor expressed in E. coli J White, P Lukacik, D Esser, M Steward, N Giddings, JR Bright, ... Protein science 13 (9), 2406-2415, 2004 | 49 | 2004 |
| 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 | 32 | 2021 |
| BLVRA: Human biliverdin reductase alpha K Kavanagh, J Elkins, E Ugochukwu, K Guo, E Pilka, P Lukacik, C Smee, ... | | |
| Characterization of human DHRS6, an orphan SDR enzyme: a novel, cytosolic type 2 R-β-hydroxybutyrate dehydrogenase K Guo, P Lukacik, E Papagrigoriou, M Meier, WH Lee, J Adamski, ... | | |
| Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-β-hydroxybutyrate dehydrogenase K Guo, P Lukacik, E Papagrigoriou, M Meier, WH Lee, J Adamski, ... Journal of biological chemistry 281 (15), 10291-10297, 2006 | 84 | 2006 |
| Complement regulation at the molecular level: crystallographic structure determination of CD55 P Lukacik University of Oxford, 2003 | | 2003 |
| Complement regulation at the molecular level: the structure of decay-accelerating factor P Lukacik, P Roversi, J White, D Esser, GP Smith, J Billington, ... Proceedings of the National Academy of Sciences 101 (5), 1279-1284, 2004 | 150 | 2004 |
| 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 | 48 | 2020 |
| Crystallization and preliminary X-ray diffraction analysis of three EGF domains of EMR2, a 7TM immune-system molecule RJM Abbott, V Knott, P Roversi, S Neudeck, P Lukacik, PA Handford, ... Acta Crystallographica Section D: Biological Crystallography 60 (5), 936-938, 2004 | 8 | 2004 |
| 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 | 448 | 2020 |
| Crystallographic studies of decay-accelerating factor (CD55) P Lukacik, J Billington, A Heinrich, K Thurston, G Smith, J White, RA Smith, ... Acta Crystallographica Section A 58, c281-c281, 2002 | | 2002 |
| Cyclic β2,3-amino acids improve the serum stability of macrocyclic peptide inhibitors targeting the SARS-CoV-2 main protease T Miura, TR Malla, L Brewitz, A Tumber, E Salah, KJ Lee, N Terasaka, ... Bulletin of the Chemical Society of Japan 97 (5), uoae018, 2024 | 1 | 2024 |
| Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding HTH Chan, MA Moesser, RK Walters, TR Malla, RM Twidale, T John, ... Chemical science 12 (41), 13686-13703, 2021 | 66 | 2021 |
Pietro RoversiItalian National Research Council (CNR) Institute of agricultural biology and biotechnology (IBBA)在 ibba.cnr.it 的电子邮件经过验证
Pietro RoversiItalian National Research Council (CNR) Institute of agricultural biology and biotechnology (IBBA)在 ibba.cnr.it 的电子邮件经过验证