| The RCSB protein data bank: integrative view of protein, gene and 3D structural information PW Rose, A Prlić, A Altunkaya, C Bi, AR Bradley, CH Christie, ... Nucleic acids research, gkw1000, 2016 | 1026 | 2016 |
| Web-based molecular graphics for large complexes AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić, PW Rose Proceedings of the 21st international conference on Web3D technology, 185-186, 2016 | 586 | 2016 |
| Rapid covalent-probe discovery by electrophile-fragment screening E Resnick, A Bradley, J Gan, A Douangamath, T Krojer, R Sethi, ... Journal of the American Chemical Society 141 (22), 8951-8968, 2019 | 240 | 2019 |
| A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density NM Pearce, T Krojer, AR Bradley, P Collins, RP Nowak, R Talon, ... Nature communications 8 (1), 15123, 2017 | 231 | 2017 |
| Deep generative models for 3D linker design F Imrie, AR Bradley, M van der Schaar, CM Deane Journal of chemical information and modeling 60 (4), 1983-1995, 2020 | 176 | 2020 |
| A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP (2), an atypical bromodomain OB Cox, T Krojer, P Collins, O Monteiro, R Talon, A Bradley, O Fedorov, ... Chemical science 7 (3), 2322-2330, 2016 | 164 | 2016 |
| Protein family-specific models using deep neural networks and transfer learning improve virtual screening and highlight the need for more data F Imrie, AR Bradley, M van der Schaar, CM Deane Journal of chemical information and modeling 58 (11), 2319-2330, 2018 | 126 | 2018 |
| Deep generative design with 3D pharmacophoric constraints F Imrie, TE Hadfield, AR Bradley, CM Deane Chemical science 12 (43), 14577-14589, 2021 | 59 | 2021 |
| MMTF—an efficient file format for the transmission, visualization, and analysis of macromolecular structures AR Bradley, AS Rose, A Pavelka, Y Valasatava, JM Duarte, A Prlić, ... PLoS computational biology 13 (6), e1005575, 2017 | 51 | 2017 |
| Generating property-matched decoy molecules using deep learning F Imrie, AR Bradley, CM Deane Bioinformatics 37 (15), 2134-2141, 2021 | 46 | 2021 |
| BioJava 5: A community driven open-source bioinformatics library A Lafita, S Bliven, A Prlić, D Guzenko, PW Rose, A Bradley, P Pavan, ... PLoS computational biology 15 (2), e1006791, 2019 | 43 | 2019 |
| Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites NM Pearce, AR Bradley, T Krojer, BD Marsden, CM Deane, F Von Delft Structural Dynamics 4 (3), 2017 | 28 | 2017 |
| 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 | 20 | 2020 |
| Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning M Mokaya, F Imrie, WP van Hoorn, A Kalisz, AR Bradley, CM Deane Nature Machine Intelligence 5 (4), 386-394, 2023 | 18 | 2023 |
| The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery AR Bradley, A Echalier, M Fairhead, C Strain-Damerell, P Brennan, ... Essays in biochemistry 61 (5), 495-503, 2017 | 18 | 2017 |
| Towards an efficient compression of 3D coordinates of macromolecular structures Y Valasatava, AR Bradley, AS Rose, JM Duarte, A Prlić, PW Rose PloS one 12 (3), e0174846, 2017 | 18 | 2017 |
| Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion SL Kidd, E Fowler, T Reinhardt, T Compton, N Mateu, H Newman, ... Chemical Science 11 (39), 10792-10801, 2020 | 16 | 2020 |
| OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural data AR Bradley, ID Wall, DVS Green, CM Deane, BD Marsden Journal of chemical information and modeling 54 (10), 2636-2646, 2014 | 13 | 2014 |
| WONKA: objective novel complex analysis for ensembles of protein–ligand structures AR Bradley, ID Wall, F von Delft, DVS Green, CM Deane, BD Marsden Journal of Computer-Aided Molecular Design 29, 963-973, 2015 | 12 | 2015 |
| 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 | 8 | 2022 |
Charlotte DeaneProfessor of Structural Bioinformatics, Oxford UniversityVerified email at stats.ox.ac.uk
