Deep Generative Models for 3D Linker Design

par Imrie, Fergus, Bradley, Anthony R., van der Schaar, Mihaela, Deane, Charlotte M.
Publié dans J Chem Inf Model (2020)

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

par Bradley, Anthony R., Wall, Ian D., Green, Darren V. S., Deane, Charlotte M., Marsden, Brian D.
Publié dans J Chem Inf Model (2014)

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

par Deane, Charlotte M., Wall, Ian D., Green, Darren V. S., Marsden, Brian D., Bradley, Anthony R.
Publié dans Acta Crystallogr D Struct Biol (2017)

Towards an efficient compression of 3D coordinates of macromolecular structures

par Valasatava, Yana, Bradley, Anthony R., Rose, Alexander S., Duarte, Jose M., Prlić, Andreas, Rose, Peter W.
Publié dans PLoS One (2017)

NGL viewer: web-based molecular graphics for large complexes

par Rose, Alexander S, Bradley, Anthony R, Valasatava, Yana, Duarte, Jose M, Prlić, Andreas, Rose, Peter W
Publié dans Bioinformatics (2018)

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

par Pearce, Nicholas M., Bradley, Anthony R., Krojer, Tobias, Marsden, Brian D., Deane, Charlotte M., von Delft, Frank
Publié dans Struct Dyn (2017)

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

par Bradley, Anthony R., Rose, Alexander S., Pavelka, Antonín, Valasatava, Yana, Duarte, Jose M., Prlić, Andreas, Rose, Peter W.
Publié dans PLoS Comput Biol (2017)

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

par 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
Publié dans Nat Commun (2017)

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

par 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
Publié dans Essays Biochem (2017)

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

par 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.
Publié dans Nucleic Acids Res (2017)