Generating property-matched decoy molecules using deep learning

por Imrie, Fergus, Bradley, Anthony R, Deane, Charlotte M
Publicado 2021

Deep generative design with 3D pharmacophoric constraints

por Imrie, Fergus, Hadfield, Thomas E., Bradley, Anthony R., Deane, Charlotte M.
Publicado 2021

Deep Generative Models for 3D Linker Design

por Imrie, Fergus, Bradley, Anthony R., van der Schaar, Mihaela, Deane, Charlotte M.
Publicado 2020

The druggable genome: Twenty years later

por Radoux, Chris J., Vianello, Francesca, McGreig, Jake, Desai, Nikita, Bradley, Anthony R.
Publicado 2022

OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data

por Bradley, Anthony R., Wall, Ian D., Green, Darren V. S., Deane, Charlotte M., Marsden, Brian D.
Publicado 2014

WONKA and OOMMPPAA: analysis of protein–ligand interaction data to direct structure-based drug design

por Deane, Charlotte M., Wall, Ian D., Green, Darren V. S., Marsden, Brian D., Bradley, Anthony R.
Publicado 2017

Towards an efficient compression of 3D coordinates of macromolecular structures

por Valasatava, Yana, Bradley, Anthony R., Rose, Alexander S., Duarte, Jose M., Prlić, Andreas, Rose, Peter W.
Publicado 2017

Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites

por Pearce, Nicholas M., Bradley, Anthony R., Krojer, Tobias, Marsden, Brian D., Deane, Charlotte M., von Delft, Frank
Publicado 2017

MMTF—An efficient file format for the transmission, visualization, and analysis of macromolecular structures

por Bradley, Anthony R., Rose, Alexander S., Pavelka, Antonín, Valasatava, Yana, Duarte, Jose M., Prlić, Andreas, Rose, Peter W.
Publicado 2017

Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins

por Smilova, Mihaela D., Curran, Peter R., Radoux, Chris J., von Delft, Frank, Cole, Jason C., Bradley, Anthony R., Marsden, Brian D.
Publicado 2022

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

por 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
Publicado 2017

The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery

por 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
Publicado 2017

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

por 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.
Publicado 2017