Publications by authors named "Anthony R Bradley"

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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· September 2022

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The druggable genome: Twenty years later.
Chris J Radoux, Francesca Vianello, Jake McGreig, Nikita Desai, Anthony R Bradley

Front Bioinform· September 2022

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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

J Chem Inf Model· January 2022

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Deep generative design with 3D pharmacophoric constraints.
Fergus Imrie, Thomas E Hadfield, Anthony R Bradley, Charlotte M Deane

Chem Sci· November 2021

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Generating property-matched decoy molecules using deep learning.
Fergus Imrie, Anthony R Bradley, Charlotte M Deane

Bioinformatics· August 2021

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Deep Generative Models for 3D Linker Design.
Fergus Imrie, Anthony R Bradley, Mihaela van der Schaar, Charlotte M Deane

J Chem Inf Model· April 2020

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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

J Chem Inf Model· April 2020

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NGL viewer: web-based molecular graphics for large complexes.
Alexander S Rose, Anthony R Bradley, Yana Valasatava, Jose M Duarte, Andreas Prlic

Bioinformatics· November 2018

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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· November 2018

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The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery.
Anthony R Bradley, Aude Echalier, Michael Fairhead, Claire Strain-Damerell, Paul Brennan

Essays Biochem· November 2017

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Towards an efficient compression of 3D coordinates of macromolecular structures.
Yana Valasatava, Anthony R Bradley, Alexander S Rose, Jose M Duarte, Andreas Prlić

PLoS One· August 2017

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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

PLoS Comput Biol· June 2017

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Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites.
Nicholas M Pearce, Anthony R Bradley, Tobias Krojer, Brian D Marsden, Charlotte M Deane

Struct Dyn· May 2017

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A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nicholas M Pearce, Tobias Krojer, Anthony R Bradley, Patrick Collins, Radosław P Nowak

Nat Commun· April 2017

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WONKA and OOMMPPAA: analysis of protein-ligand interaction data to direct structure-based drug design.
Charlotte M Deane, Ian D Wall, Darren V S Green, Brian D Marsden, Anthony R Bradley

Acta Crystallogr D Struct Biol· March 2017

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The RCSB protein data bank: integrative view of protein, gene and 3D structural information.
Peter W Rose, Andreas Prlić, Ali Altunkaya, Chunxiao Bi, Anthony R Bradley

Nucleic Acids Res· January 2017

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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· October 2014

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