To Hit or Not to Hit, That Is the Question – Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa Proteins

Por Sarkar, Aurijit, Brenk, Ruth
Publicado no PLoS One (2015)

Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library

Por Mok, N. Yi, Brenk, Ruth
Publicado em 2011

Locating Sweet Spots for Screening Hits and Evaluating Pan-Assay Interference Filters from the Performance Analysis of Two Lead-like Libraries

Por Mok, N. Yi, Maxe, Sara, Brenk, Ruth
Publicado em 2013

Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening

Por Mok, N. Yi, Brenk, Ruth, Brown, Nathan
Publicado em 2014

Here Be Dragons: Docking and Screening in an Uncharted Region of Chemical Space

Por BRENK, RUTH, IRWIN, JOHN J., SHOICHET, BRIAN K.
Publicado em 2005

Decoys for Docking

Por Graves, Alan P., Brenk, Ruth, Shoichet, Brian K.
Publicado em 2005

Probing Molecular Docking in a Charged Model Binding Site

Por Brenk, Ruth, Vetter, Stefan W., Boyce, Sarah E., Goodin, David B., Shoichet, Brian K.
Publicado em 2006

The Design and Synthesis of Potent and Selective Inhibitors of Trypanosoma brucei Glycogen Synthase Kinase 3 for the Treatment of Human African Trypanosomiasis

Por Urich, Robert, Grimaldi, Raffaella, Luksch, Torsten, Frearson, Julie A., Brenk, Ruth, Wyatt, Paul G.
Publicado em 2014

Nucleosomes can invade DNA territories occupied by their neighbors

Por Engeholm, Maik, de Jager, Martijn, Flaus, Andrew, Brenk, Ruth, van Noort, John, Owen-Hughes, Tom
Publicado em 2009

Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry

Por Bhat, Venugopal T., Caniard, Anne M., Luksch, Torsten, Brenk, Ruth, Campopiano, Dominic J., Greaney, Michael F.
Publicado em 2010

IspE Inhibitors Identified by a Combination of In Silico and In Vitro High-Throughput Screening

Por Tidten-Luksch, Naomi, Grimaldi, Raffaella, Torrie, Leah S., Frearson, Julie A., Hunter, William N., Brenk, Ruth
Publicado em 2012

Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases

Por Brenk, Ruth, Schipani, Alessandro, James, Daniel, Krasowski, Agata, Gilbert, Ian Hugh, Frearson, Julie, Wyatt, Paul Graham
Publicado em 2008

Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase

Por Ruda, Gian Filippo, Campbell, Gordon, Alibu, Vincent P., Barrett, Michael P., Brenk, Ruth, Gilbert, Ian H.
Publicado em 2010

Structures of Pseudomonas aeruginosa β-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a burie...

Por Baum, Bernhard, Lecker, Laura S. M., Zoltner, Martin, Jaenicke, Elmar, Schnell, Robert, Hunter, William N., Brenk, Ruth
Publicado no Acta Crystallogr F Struct Biol Commun (2015)

Novel Ligands for a Purine Riboswitch Discovered by RNA-Ligand Docking

Por Daldrop, Peter, Reyes, Francis E., Robinson, David A., Hammond, Colin M., Lilley, David M., Batey, Robert T., Brenk, Ruth
Publicado em 2011

A Structure-Based Approach to Ligand Discovery for 2C-Methyl-d-erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy

Por Ramsden, Nicola L., Buetow, Lori, Dawson, Alice, Kemp, Lauris A., Ulaganathan, Venkatsubramanian, Brenk, Ruth, Klebe, Gerhard, Hunter, William N.
Publicado em 2009

De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments

Por Urich, Robert, Wishart, Grant, Kiczun, Michael, Richters, André, Tidten-Luksch, Naomi, Rauh, Daniel, Sherborne, Brad, Wyatt, Paul G., Brenk, Ruth
Publicado em 2013

The small molecule tool (S)-(–)-blebbistatin: novel insights of relevance to myosin inhibitor design

Por Lucas-Lopez, Cristina, Allingham, John S., Lebl, Tomas, Lawson, Christopher P. A. T., Brenk, Ruth, Sellers, James R., Rayment, Ivan, Westwood, Nicholas J.
Publicado em 2008

From On-Target to Off-Target Activity: Identification and Optimisation of Trypanosoma brucei GSK3 Inhibitors and Their Characterisation as Anti-Trypanosoma brucei Drug Discovery Le...

Por Woodland, Andrew, Grimaldi, Raffaella, Luksch, Torsten, Cleghorn, Laura A T, Ojo, Kayode K, Van Voorhis, Wesley C, Brenk, Ruth, Frearson, Julie A, Gilbert, Ian H, Wyatt, Paul G
Publicado em 2013

Identification of Inhibitors of the Leishmania cdc2-Related Protein Kinase CRK3

Por Cleghorn, Laura A T, Woodland, Andrew, Collie, Iain T, Torrie, Leah S, Norcross, Neil, Luksch, Torsten, Mpamhanga, Chido, Walker, Roderick G, Mottram, Jeremy C, Brenk, Ruth, Frearson, Julie A, Gilbert, Ian H, Wyatt, Paul G
Publicado em 2011