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Journal Articles
- 2023
[j14]Maranga Mokaya
, Fergus Imrie, Willem P. van Hoorn, Aleksandra Kalisz, Anthony R. Bradley, Charlotte M. Deane:
Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning. Nat. Mac. Intell. 5(4): 386-394 (2023)- 2022
- [j13]Chris J. Radoux, Francesca V. Vianello, Jake E. McGreig, Nikita Desai, Anthony R. Bradley:
The druggable genome: Twenty years later. Frontiers Bioinform. 2 (2022) - [j12]Mihaela D. Smilova, Peter R. Curran, Chris J. Radoux, Frank von Delft, Jason C. Cole, Anthony R. Bradley, Brian D. Marsden:
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins. J. Chem. Inf. Model. 62(2): 284-294 (2022) - [j11]Daniel J. Woodward, Anthony R. Bradley, Willem P. van Hoorn:
Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. J. Chem. Inf. Model. 62(18): 4391-4402 (2022) - 2021
- [j10]Fergus Imrie, Anthony R. Bradley, Charlotte M. Deane:
Generating property-matched decoy molecules using deep learning. Bioinform. 37(15): 2134-2141 (2021) - 2020
- [j9]Peter R. Curran, Chris J. Radoux, Mihaela D. Smilova, Richard A. Sykes, Alicia P. Higueruelo, Anthony R. Bradley, Brian D. Marsden, David R. Spring, Tom L. Blundell, Andrew R. Leach, William R. Pitt, Jason C. Cole:
Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design. J. Chem. Inf. Model. 60(4): 1911-1916 (2020) - [j8]Fergus Imrie, Anthony R. Bradley, Mihaela van der Schaar, Charlotte M. Deane:
Deep Generative Models for 3D Linker Design. J. Chem. Inf. Model. 60(4): 1983-1995 (2020) - 2019
- [j7]Aleix Lafita, Spencer Bliven, Andreas Prlic, Dmytro Guzenko, Peter W. Rose, Anthony R. Bradley, Paolo Pavan, Douglas Myers-Turnbull, Yana Valasatava, Michael L. Heuer, Matt Larson, Stephen K. Burley, Jose M. Duarte:
BioJava 5: A community driven open-source bioinformatics library. PLoS Comput. Biol. 15(2) (2019) - 2018
- [j6]Alexander S. Rose, Anthony R. Bradley, Yana Valasatava, Jose M. Duarte, Andreas Prlic, Peter W. Rose:
NGL viewer: web-based molecular graphics for large complexes. Bioinform. 34(21): 3755-3758 (2018) - [j5]Fergus Imrie, Anthony R. Bradley, Mihaela van der Schaar, Charlotte M. Deane:
Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data. J. Chem. Inf. Model. 58(11): 2319-2330 (2018) - 2017
- [j4]Peter W. Rose, Andreas Prlic, Ali Altunkaya, Chunxiao Bi, Anthony R. Bradley, Cole H. Christie, Luigi Di Costanzo, Jose M. Duarte, Shuchismita Dutta, Zukang Feng, Rachel Kramer Green, David S. Goodsell, Brian P. Hudson, Tara Kalro, Robert Lowe, Ezra Peisach, Christopher Randle, Alexander S. Rose, Chenghua Shao, Yi-Ping Tao, Yana Valasatava, Maria Voigt, John D. Westbrook, Jesse Woo, Huanwang Yang, Jasmine Young, Christine Zardecki, Helen M. Berman, Stephen K. Burley:
The RCSB protein data bank: integrative view of protein, gene and 3D structural information. Nucleic Acids Res. 45(Database-Issue): D271-D281 (2017) - [j3]Anthony R. Bradley, Alexander S. Rose, Antonín Pavelka, Yana Valasatava, Jose M. Duarte, Andreas Prlic, Peter W. Rose:
MMTF - An efficient file format for the transmission, visualization, and analysis of macromolecular structures. PLoS Comput. Biol. 13(6) (2017) - 2015
- [j2]Anthony R. Bradley, Ian D. Wall, Frank von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden:
WONKA: objective novel complex analysis for ensembles of protein-ligand structures. J. Comput. Aided Mol. Des. 29(10): 963-973 (2015) - 2014
- [j1]Anthony R. Bradley, Ian D. Wall, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden:
OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data. J. Chem. Inf. Model. 54(10): 2636-2646 (2014)
Conference and Workshop Papers
- 2016
- [c1]Alexander S. Rose, Anthony R. Bradley, Yana Valasatava, Jose M. Duarte, Andreas Prlic, Peter W. Rose:
Web-based molecular graphics for large complexes. Web3D 2016: 185-186
Coauthor Index
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