Takip et
Anthony Bradley
Anthony Bradley
University of Liverpool
liverpool.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
11662016
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
6582016
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
2912019
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
2692017
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
2192020
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
1912016
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
1332018
Deep generative design with 3D pharmacophoric constraints
F Imrie, TE Hadfield, AR Bradley, CM Deane
Chemical science 12 (43), 14577-14589, 2021
772021
Generating property-matched decoy molecules using deep learning
F Imrie, AR Bradley, CM Deane
Bioinformatics 37 (15), 2134-2141, 2021
672021
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
522017
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
492019
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
362023
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
342017
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
212020
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
202020
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
202017
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
192017
The druggable genome: Twenty years later
CJ Radoux, F Vianello, J McGreig, N Desai, AR Bradley
Frontiers in Bioinformatics 2, 958378, 2022
172022
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
132014
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
122015
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20