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Anthony R. Bradley
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2020 – today
- 2023
- [j14]Maranga Mokaya
, Fergus Imrie, Willem P. van Hoorn
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
The druggable genome: Twenty years later. Frontiers Bioinform. 2 (2022) - [j12]Mihaela D. Smilova
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins. J. Chem. Inf. Model. 62(2): 284-294 (2022) - [j11]Daniel J. Woodward
Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. J. Chem. Inf. Model. 62(18): 4391-4402 (2022) - 2021
- [j10]Fergus Imrie
Generating property-matched decoy molecules using deep learning. Bioinform. 37(15): 2134-2141 (2021) - 2020
- [j9]Peter R. Curran
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
Deep Generative Models for 3D Linker Design. J. Chem. Inf. Model. 60(4): 1983-1995 (2020)
2010 – 2019
- 2019
- [j7]Aleix Lafita
BioJava 5: A community driven open-source bioinformatics library. PLoS Comput. Biol. 15(2) (2019) - 2018
- [j6]Alexander S. Rose
NGL viewer: web-based molecular graphics for large complexes. Bioinform. 34(21): 3755-3758 (2018) - [j5]Fergus Imrie
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
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
MMTF - An efficient file format for the transmission, visualization, and analysis of macromolecular structures. PLoS Comput. Biol. 13(6) (2017) - 2016
- [c1]Alexander S. Rose
Web-based molecular graphics for large complexes. Web3D 2016: 185-186 - 2015
- [j2]Anthony R. Bradley, Ian D. Wall, Frank von Delft
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
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)
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