ChEMBL: towards direct deposition of bioassay data D Mendez, A Gaulton, AP Bento, J Chambers, M De Veij, E Félix, ... Nucleic acids research 47 (D1), D930-D940, 2019 | 1939 | 2019 |
The PROTACtable genome M Schneider, CJ Radoux, A Hercules, D Ochoa, I Dunham, LP Zalmas, ... Nature reviews Drug discovery 20 (10), 789-797, 2021 | 175 | 2021 |
Identifying interactions that determine fragment binding at protein hotspots CJ Radoux, TSG Olsson, WR Pitt, CR Groom, TL Blundell Journal of medicinal chemistry 59 (9), 4314-4325, 2016 | 106 | 2016 |
Target-based evaluation of “drug-like” properties and ligand efficiencies PD Leeson, AP Bento, A Gaulton, A Hersey, EJ Manners, CJ Radoux, ... Journal of medicinal chemistry 64 (11), 7210-7230, 2021 | 80 | 2021 |
Identification of new allosteric sites and modulators of AChE through computational and experimental tools C Roca, C Requena, V Sebastián-Pérez, S Malhotra, C Radoux, C Pérez, ... Journal of enzyme inhibition and medicinal chemistry 33 (1), 1034-1047, 2018 | 51 | 2018 |
Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping SE Thomas, P Collins, RH James, V Mendes, S Charoensutthivarakul, ... Philosophical Transactions of the Royal Society A 377 (2147), 20180422, 2019 | 44 | 2019 |
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 | 37 | 2021 |
Hotspots api: a python package for the detection of small molecule binding hotspots and application to structure-based drug design PR Curran, CJ Radoux, MD Smilova, RA Sykes, AP Higueruelo, ... Journal of chemical information and modeling 60 (4), 1911-1916, 2020 | 21 | 2020 |
The druggable genome: Twenty years later CJ Radoux, F Vianello, J McGreig, N Desai, AR Bradley Frontiers in Bioinformatics 2, 958378, 2022 | 16 | 2022 |
Fragment hotspot mapping to identify selectivity-determining regions between related proteins MD Smilova, PR Curran, CJ Radoux, F von Delft, JC Cole, AR Bradley, ... Journal of Chemical Information and Modeling 62 (2), 284-294, 2022 | 11 | 2022 |
Illuminating the druggable genome through patent bioactivity data MP Magariños, A Gaulton, E Félix, T Kiziloren, R Arcila, TI Oprea, ... PeerJ 11, e15153, 2023 | 9 | 2023 |
Computational drug target tractability analysis AR Leach, C Radoux Academic Press, 2021 | 2 | 2021 |
832P Characterisation of EXS73565: A potent and selective MALT1 inhibitor with low drug-drug interaction risk and potential in lymphoma M Gooyit, A Payne, C Carvalheda, D Evans, C Radoux, S Richards, ... Annals of Oncology 34, S546-S547, 2023 | | 2023 |
What fragment hit to follow and how? Using hotspots to prioritise chemistry resources M Smilova, P Curran, C Radoux, W Pitt, J Cole, A Bradley, B Marsden ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Structure-guided fragment-based drug discovery at the synchrotron SE Thomas, P Collins, RH James, V Mendes, S Charoensutthivarakul, ... Philosophical Transactions: Mathematical, Physical and Engineering Sciences …, 2019 | | 2019 |
THE OTHER SIDE OF AChE: ALLOSTERIC SITES AND MODULATORS C Roca, C Requena, V Sebastián-Pérez, S Malhotra, C Radoux, C Pérez, ... Military Medical Science Letters/Vojenské Zdravotnické Listy 87, 2018 | | 2018 |
Applying CSD-and PDB-derived binding hotspot analysis to water molecules to aid in ligand design C Radoux, P Sanschagrin, E Davis, W Pitt ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |