Fragment approaches in structure-based drug discovery

por Hubbard, Roderick E.
Publicado 2008

Current perspectives in fragment-based lead discovery (FBLD)

por Lamoree, Bas, Hubbard, Roderick E.
Publicado 2017

Using Fragment-Based Approaches to Discover New Antibiotics

por Lamoree, Bas, Hubbard, Roderick E.
Publicado 2018

sgTarget: a target selection resource for structural genomics

por Rodrigues, Ana P. C., Grant, Barry J., Hubbard, Roderick E.
Publicado 2006

Exploring IDP–Ligand Interactions: Tau K18 as a Test Case

por Vagrys, Darius, Davidson, James, Chen, Ijen, Hubbard, Roderick E., Davis, Ben
Publicado 2020

Correction to: (1)H, (13)C, (15)N backbone and IVL methyl group resonance assignment of the fungal β-glucosidase from Trichoderma reesei

por Makraki, Eleni, Carneiro, Marta G., Heyam, Alex, AB, Eiso, Siegal, Gregg, Hubbard, Roderick E.
Publicado 2020

Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase**

por Darby, John F, Landström, Jens, Roth, Christian, He, Yuan, Davies, Gideon J, Hubbard, Roderick E
Publicado 2014

(1)H, (13)C, (15)N backbone and IVL methyl group resonance assignment of the fungal β-glucosidase from Trichoderma reesei

por Makraki, Eleni, Carneiro, Marta G., Heyam, Alex, Eiso, A. B., Siegal, Gregg, Hubbard, Roderick E.
Publicado 2020

Increase of enzyme activity through specific covalent modification with fragments

por Darby, John F., Atobe, Masakazu, Firth, James D., Bond, Paul, Davies, Gideon J., O'Brien, Peter, Hubbard, Roderick E.
Publicado 2017

P-Rex1 Controls Sphingosine 1-Phosphate Receptor Signalling, Morphology, and Cell-Cycle Progression in Neuronal Cells

por Hampson, Elizabeth, Tsonou, Elpida, Baker, Martin J., Hornigold, David C., Hubbard, Roderick E., Massey, Andrew, Welch, Heidi C. E.
Publicado 2021

Tripartite ATP-independent Periplasmic (TRAP) Transporters Use an Arginine-mediated Selectivity Filter for High Affinity Substrate Binding

por Fischer, Marcus, Hopkins, Adam P., Severi, Emmanuele, Hawkhead, Judith, Bawdon, Daniel, Watts, Andrew G., Hubbard, Roderick E., Thomas, Gavin H.
Publicado 2015

Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search

por Wills, Stephanie, Sanchez-Garcia, Ruben, Dudgeon, Tim, Roughley, Stephen D., Merritt, Andy, Hubbard, Roderick E., Davidson, James, von Delft, Frank, Deane, Charlotte M.
Publicado 2023

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

por Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Foloppe, Nicolas, Garmendia-Doval, A. Beatriz, Juhos, Szilveszter, Schmidtke, Peter, Barril, Xavier, Hubbard, Roderick E., Morley, S. David
Publicado 2014

Fragment-derived modulators of an industrial β-glucosidase

por Makraki, Eleni, Darby, John F., Carneiro, Marta G., Firth, James D., Heyam, Alex, Ab, Eiso, O'Brien, Peter, Siegal, Gregg, Hubbard, Roderick E.
Publicado 2020

Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures

por Baker, Lisa M., Aimon, Anthony, Murray, James B., Surgenor, Allan E., Matassova, Natalia, Roughley, Stephen D., Collins, Patrick M., Krojer, Tobias, von Delft, Frank, Hubbard, Roderick E.
Publicado 2020

The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues

por Sipos, Szabolcs, Bálint, Balázs, Szabó, Zoltán B., Ondi, Levente, Csékei, Márton, Szlávik, Zoltán, Proszenyák, Ágnes, Murray, James B., Davidson, James, Chen, Ijen, Dokurno, Pawel, Surgenor, Allan E., Pedder, Christopher, Hubbard, Roderick E., Maragno, Ana-Leticia, Chanrion, Maia, Colland, Frederic, Geneste, Olivier, Kotschy, András
Publicado 2021

Exploration of piperidine 3D fragment chemical space: synthesis and 3D shape analysis of fragments derived from 20 regio- and diastereoisomers of methyl substituted pipecolinates

por Jones, S. Paul, Firth, James D., Wheldon, Mary C., Atobe, Masakazu, Hubbard, Roderick E., Blakemore, David C., De Fusco, Claudia, Lucas, Simon C. C., Roughley, Stephen D., Vidler, Lewis R., Whatton, Maria Ann, Woolford, Alison J.-A., Wrigley, Gail L., O'Brien, Peter
Publicado 2022

Design and Synthesis of 56 Shape‐Diverse 3D Fragments

por Downes, Thomas D., Jones, S. Paul, Klein, Hanna F., Wheldon, Mary C., Atobe, Masakazu, Bond, Paul S., Firth, James D., Chan, Ngai S., Waddelove, Laura, Hubbard, Roderick E., Blakemore, David C., De Fusco, Claudia, Roughley, Stephen D., Vidler, Lewis R., Whatton, Maria Ann, Woolford, Alison J.‐A., Wrigley, Gail L., O'Brien, Peter
Publicado 2020

PAC-FragmentDEL – photoactivated covalent capture of DNA-encoded fragments for hit discovery

por Ma, Huiyong, Murray, James B., Luo, Huadong, Cheng, Xuemin, Chen, Qiuxia, Song, Chao, Duan, Cong, Tan, Ping, Zhang, Lifang, Liu, Jian, Morgan, Barry A., Li, Jin, Wan, Jinqiao, Baker, Lisa M., Finnie, William, Guetzoyan, Lucie, Harris, Richard, Hendrickson, Nicole, Matassova, Natalia, Simmonite, Heather, Smith, Julia, Hubbard, Roderick E., Liu, Guansai
Publicado 2022

Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1

por Murray, James B., Davidson, James, Chen, Ijen, Davis, Ben, Dokurno, Pawel, Graham, Christopher J., Harris, Richard, Jordan, Allan, Matassova, Natalia, Pedder, Christopher, Ray, Stuart, Roughley, Stephen D., Smith, Julia, Walmsley, Claire, Wang, Yikang, Whitehead, Neil, Williamson, Douglas S., Casara, Patrick, Le Diguarher, Thierry, Hickman, John, Stark, Jerome, Kotschy, András, Geneste, Olivier, Hubbard, Roderick E.
Publicado 2019