NGL viewer: web-based molecular graphics for large complexes
Rose, Alexander S, Bradley, Anthony R, Valasatava, Yana, Duarte, Jose M, Prlić, Andreas, Rose, Peter W
Published in Bioinformatics (01.11.2018)
Published in Bioinformatics (01.11.2018)
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Journal Article
Deep Generative Models for 3D Linker Design
Imrie, Fergus, Bradley, Anthony R, van der Schaar, Mihaela, Deane, Charlotte M
Published in Journal of chemical information and modeling (27.04.2020)
Published in Journal of chemical information and modeling (27.04.2020)
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Journal Article
Generating property-matched decoy molecules using deep learning
Imrie, Fergus, Bradley, Anthony R, Deane, Charlotte M
Published in Bioinformatics (Oxford, England) (09.08.2021)
Published in Bioinformatics (Oxford, England) (09.08.2021)
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Journal Article
Deep generative design with 3D pharmacophoric constraints
Imrie, Fergus, Hadfield, Thomas E, Bradley, Anthony R, Deane, Charlotte M
Published in Chemical science (Cambridge) (10.11.2021)
Published in Chemical science (Cambridge) (10.11.2021)
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Journal Article
Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data
Imrie, Fergus, Bradley, Anthony R, van der Schaar, Mihaela, Deane, Charlotte M
Published in Journal of chemical information and modeling (26.11.2018)
Published in Journal of chemical information and modeling (26.11.2018)
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Journal Article
A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density
Pearce, Nicholas M., Krojer, Tobias, Bradley, Anthony R., Collins, Patrick, Nowak, Radosław P., Talon, Romain, Marsden, Brian D., Kelm, Sebastian, Shi, Jiye, Deane, Charlotte M., von Delft, Frank
Published in Nature communications (24.04.2017)
Published in Nature communications (24.04.2017)
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Journal Article
The RCSB protein data bank: integrative view of protein, gene and 3D structural information
Rose, Peter W, Prlić, Andreas, Altunkaya, Ali, Bi, Chunxiao, Bradley, Anthony R, Christie, Cole H, Costanzo, Luigi Di, Duarte, Jose M, Dutta, Shuchismita, Feng, Zukang, Green, Rachel Kramer, Goodsell, David S, Hudson, Brian, Kalro, Tara, Lowe, Robert, Peisach, Ezra, Randle, Christopher, Rose, Alexander S, Shao, Chenghua, Tao, Yi-Ping, Valasatava, Yana, Voigt, Maria, Westbrook, John D, Woo, Jesse, Yang, Huangwang, Young, Jasmine Y, Zardecki, Christine, Berman, Helen M, Burley, Stephen K
Published in Nucleic acids research (04.01.2017)
Published in Nucleic acids research (04.01.2017)
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Journal Article
MMTF-An efficient file format for the transmission, visualization, and analysis of macromolecular structures
Bradley, Anthony R, Rose, Alexander S, Pavelka, Antonín, Valasatava, Yana, Duarte, Jose M, Prlić, Andreas, Rose, Peter W
Published in PLoS computational biology (01.06.2017)
Published in PLoS computational biology (01.06.2017)
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Journal Article
Towards an efficient compression of 3D coordinates of macromolecular structures
Valasatava, Yana, Bradley, Anthony R, Rose, Alexander S, Duarte, Jose M, Prlić, Andreas, Rose, Peter W
Published in PloS one (31.03.2017)
Published in PloS one (31.03.2017)
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Journal Article
Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space
Woodward, Daniel J., Bradley, Anthony R., van Hoorn, Willem P.
Published in Journal of chemical information and modeling (26.09.2022)
Published in Journal of chemical information and modeling (26.09.2022)
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Journal Article
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins
Smilova, Mihaela D, Curran, Peter R, Radoux, Chris J, von Delft, Frank, Cole, Jason C, Bradley, Anthony R, Marsden, Brian D
Published in Journal of chemical information and modeling (24.01.2022)
Published in Journal of chemical information and modeling (24.01.2022)
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Journal Article
Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning
Mokaya, Maranga, Imrie, Fergus, van Hoorn, Willem P., Kalisz, Aleksandra, Bradley, Anthony R., Deane, Charlotte M.
Published in Nature machine intelligence (01.04.2023)
Published in Nature machine intelligence (01.04.2023)
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Journal Article
BioJava 5: A community driven open-source bioinformatics library
Lafita, Aleix, Bliven, Spencer, Prlić, Andreas, Guzenko, Dmytro, Rose, Peter W, Bradley, Anthony, Pavan, Paolo, Myers-Turnbull, Douglas, Valasatava, Yana, Heuer, Michael, Larson, Matt, Burley, Stephen K, Duarte, Jose M
Published in PLoS computational biology (01.02.2019)
Published in PLoS computational biology (01.02.2019)
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Journal Article
Current UK practice of pediatric supraglottic airway devices - a survey of members of the Association of Paediatric Anaesthetists of Great Britain and Ireland
Bradley, Anthony E.D., White, Michelle C., Engelhardt, Thomas, Bayley, Guy, Beringer, Richard M.
Published in Pediatric anesthesia (01.11.2013)
Published in Pediatric anesthesia (01.11.2013)
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Journal Article
The druggable genome: Twenty years later
Radoux, Chris J, Vianello, Francesca, McGreig, Jake, Desai, Nikita, Bradley, Anthony R
Published in Frontiers in bioinformatics (30.09.2022)
Published in Frontiers in bioinformatics (30.09.2022)
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Journal Article
Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design
Curran, Peter R, Radoux, Chris J, Smilova, Mihaela D, Sykes, Richard A, Higueruelo, Alicia P, Bradley, Anthony R, Marsden, Brian D, Spring, David R, Blundell, Tom L, Leach, Andrew R, Pitt, William R, Cole, Jason C
Published in Journal of chemical information and modeling (27.04.2020)
Published in Journal of chemical information and modeling (27.04.2020)
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Journal Article
Challenges in Assessment and Management of Postoperative Agitation and Delirium in a Stroke Patient with Limited English Proficiency: Case Report
Chwa, Jason S, Bradley, Anthony S, Szokol, Joseph, Dhillon, Anahat K, Luan-Erfe, Betty M
Published in A&A practice (01.07.2024)
Published in A&A practice (01.07.2024)
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Journal Article
Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Kidd, Sarah L, Fowler, Elaine, Reinhardt, Till, Compton, Thomas, Mateu, Natalia, Newman, Hector, Bellini, Dom, Talon, Romain, McLoughlin, Joseph, Krojer, Tobias, Aimon, Anthony, Bradley, Anthony, Fairhead, Michael, Brear, Paul, Díaz-Sáez, Laura, McAuley, Katherine, Sore, Hannah F, Madin, Andrew, O'Donovan, Daniel H, Huber, Kilian V. M, Hyvönen, Marko, von Delft, Frank, Dowson, Christopher G, Spring, David R
Published in Chemical science (Cambridge) (21.10.2020)
Published in Chemical science (Cambridge) (21.10.2020)
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Journal Article
The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery
Bradley, Anthony R, Echalier, Aude, Fairhead, Michael, Strain-Damerell, Claire, Brennan, Paul, Bullock, Alex N, Burgess-Brown, Nicola A, Carpenter, Elisabeth P, Gileadi, Opher, Marsden, Brian D, Lee, Wen Hwa, Yue, Wyatt, Bountra, Chas, von Delft, Frank
Published in Essays in biochemistry (08.11.2017)
Published in Essays in biochemistry (08.11.2017)
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