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

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

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

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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 von Imrie, Fergus, Bradley, Anthony R, van der Schaar, Mihaela, Deane, Charlotte M

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

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A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density von 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

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MMTF-An efficient file format for the transmission, visualization, and analysis of macromolecular structures von Bradley, Anthony R, Rose, Alexander S, Pavelka, Antonín, Valasatava, Yana, Duarte, Jose M, Prlić, Andreas, Rose, Peter W

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

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The RCSB protein data bank: integrative view of protein, gene and 3D structural information von 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

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Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space von Woodward, Daniel J., Bradley, Anthony R., van Hoorn, Willem P.

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

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

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Current UK practice of pediatric supraglottic airway devices - a survey of members of the Association of Paediatric Anaesthetists of Great Britain and Ireland von Bradley, Anthony E.D., White, Michelle C., Engelhardt, Thomas, Bayley, Guy, Beringer, Richard M.

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BioJava 5: A community driven open-source bioinformatics library von 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

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

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Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion von 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

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Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design von 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

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

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OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data von Bradley, Anthony R, Wall, Ian D, Green, Darren V. S, Deane, Charlotte M, Marsden, Brian D

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

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