OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data. - Anthony R. Bradley; Ian D. Wall; Darren V. S. Green; Charlotte M. Deane; Brian D. Marsden (J. Chem. Inf. Model., 2014)

WONKA: objective novel complex analysis for ensembles of protein-ligand structures. - Anthony R. Bradley; Ian D. Wall; Frank von Delft; Darren V. S. Green; Charlotte M. Deane; Brian D. Marsden (J. Comput. Aided Mol. Des., 2015)

Web-based molecular graphics for large complexes. - Alexander S. Rose; Anthony R. Bradley; Yana Valasatava; Jose M. Duarte; Andreas Prlic; Peter W. Rose (Web3D, 2016)

The RCSB protein data bank: integrative view of protein, gene and 3D structural information. - 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; et al. (Nucleic Acids Res., 2017)

MMTF - An efficient file format for the transmission, visualization, and analysis of macromolecular structures. - Anthony R. Bradley; Alexander S. Rose; Antonín Pavelka; Yana Valasatava; Jose M. Duarte; Andreas Prlic; Peter W. Rose (PLoS Comput. Biol., 2017)

NGL viewer: web-based molecular graphics for large complexes. - Alexander S. Rose; Anthony R. Bradley; Yana Valasatava; Jose M. Duarte; Andreas Prlic; Peter W. Rose (Bioinform., 2018)

Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data. - Fergus Imrie; Anthony R. Bradley; Mihaela van der Schaar; Charlotte M. Deane (J. Chem. Inf. Model., 2018)

BioJava 5: A community driven open-source bioinformatics library. - 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; et al. (PLoS Comput. Biol., 2019)

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design. - 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 (J. Chem. Inf. Model., 2020)

Deep Generative Models for 3D Linker Design. - Fergus Imrie; Anthony R. Bradley; Mihaela van der Schaar; Charlotte M. Deane (J. Chem. Inf. Model., 2020)

Generating property-matched decoy molecules using deep learning. - Fergus Imrie; Anthony R. Bradley; Charlotte M. Deane (Bioinform., 2021)

The druggable genome: Twenty years later. - Chris J. Radoux; Francesca V. Vianello; Jake E. McGreig; Nikita Desai; Anthony R. Bradley (Frontiers Bioinform., 2022)

Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins. - Mihaela D. Smilova; Peter R. Curran; Chris J. Radoux; Frank von Delft; Jason C. Cole; Anthony R. Bradley; Brian D. Marsden (J. Chem. Inf. Model., 2022)

Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. - Daniel J. Woodward; Anthony R. Bradley; Willem P. van Hoorn (J. Chem. Inf. Model., 2022)

Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning. - Maranga Mokaya; Fergus Imrie; Willem P. van Hoorn; Aleksandra Kalisz; Anthony R. Bradley; Charlotte M. Deane (Nat. Mac. Intell., 2023)