| A review of methods for the calculation of solution free energies and the modelling of systems in solution RE Skyner, JL McDonagh, CR Groom, T van Mourik, JBO Mitchell Physical Chemistry Chemical Physics 17 (9), 6174-6191, 2015 | 517 | 2015 |
| 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 | 433 | 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 | 171 | 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 | 154 | 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 |
| 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 |
| 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 |
| 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 | 23 | 2023 |
| Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries A Carbery, R Skyner, F von Delft, CM Deane Journal of Medicinal Chemistry 65 (16), 11404-11413, 2022 | 19 | 2022 |
| Building multi-component crystals from cations and co-crystals: the use of chaperones S Bukenya, T Munshi, IJ Scowen, R Skyner, DA Whitaker, CC Seaton CrystEngComm 15 (12), 2241-2250, 2013 | 13 | 2013 |
| Probing the average distribution of water in organic hydrate crystal structures with radial distribution functions (RDFs) RE Skyner, JBO Mitchell, CR Groom CrystEngComm 19 (4), 641-652, 2017 | 12 | 2017 |
| 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 |
| Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease, Nat. Commun., 11, 5047 A Douangamath, D Fearon, P Gehrtz, T Krojer, P Lukacik, CD Owen, ... | 7 | 2020 |
| Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease AS Godoy, AM Nakamura, A Douangamath, Y Song, GD Noske, ... Nucleic Acids Research 51 (10), 5255-5270, 2023 | 6 | 2023 |
| Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease S Bray, T Dudgeon, R Skyner, R Backofen, B Grüning, F von Delft Journal of cheminformatics 14 (1), 22, 2022 | 4 | 2022 |
| In silico methods to predict solubility JL McDonagh, JBO Mitchell, DS Palmer, RE Skyner Solubility in Pharmaceutical Chemistry, 71, 2020 | 4 | 2020 |
| Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures A Carbery, M Buttenschoen, R Skyner, F von Delft, CM Deane Journal of Cheminformatics 16 (1), 32, 2024 | 3 | 2024 |
| Experiences from developing software for large X-ray crystallography-driven protein-ligand studies NM Pearce, R Skyner, T Krojer Frontiers in Molecular Biosciences 9, 861491, 2022 | 2 | 2022 |
| 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, ... | | 2024 |
Frank von DelftPrincipal Investigator: Protein Crystallography, SGC, Oxford UniversityVerified email at sgc.ox.ac.uk
