Lessons learnt from assembling screening libraries for drug discovery for neglected diseases R Brenk, A Schipani, D James, A Krasowski, IH Gilbert, J Frearson, ... ChemMedChem 3 (3), 435-444, 2008 | 632 | 2008 |
N-myristoyltransferase inhibitors as new leads to treat sleeping sickness JA Frearson, S Brand, SP McElroy, LAT Cleghorn, O Smid, L Stojanovski, ... Nature 464 (7289), 728, 2010 | 330 | 2010 |
Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry VT Bhat, AM Caniard, T Luksch, R Brenk, DJ Campopiano, MF Greaney Nature Chemistry 2 (6), 490-497, 2010 | 227 | 2010 |
Decoys for docking AP Graves, R Brenk, BK Shoichet Journal of medicinal chemistry 48 (11), 3714-3728, 2005 | 154 | 2005 |
Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis R Brenk, L Naerum, U Grädler, HD Gerber, GA Garcia, K Reuter, ... Journal of medicinal chemistry 46 (7), 1133-1143, 2003 | 131 | 2003 |
Design, synthesis, and biological evaluation of 3, 4-diarylmaleimides as angiogenesis inhibitors C Peifer, T Stoiber, E Unger, F Totzke, C Schächtele, D Marmé, R Brenk, ... Journal of medicinal chemistry 49 (4), 1271-1281, 2006 | 129 | 2006 |
Nucleosomes can invade DNA territories occupied by their neighbors M Engeholm, M de Jager, A Flaus, R Brenk, J van Noort, T Owen-Hughes Nature structural & molecular biology 16 (2), 151-158, 2009 | 127 | 2009 |
Novel ligands for a purine riboswitch discovered by RNA-ligand docking P Daldrop, FE Reyes, DA Robinson, CM Hammond, DM Lilley, RT Batey, ... Chemistry & biology 18 (3), 324-335, 2011 | 126 | 2011 |
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors S Brand, LAT Cleghorn, SP McElroy, DA Robinson, VC Smith, ... Journal of medicinal chemistry 55 (1), 140-152, 2011 | 123 | 2011 |
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening CP Mpamhanga, D Spinks, LB Tulloch, EJ Shanks, DA Robinson, ... Journal of medicinal chemistry 52 (14), 4454-4465, 2009 | 112 | 2009 |
DrugPred: a structure-based approach to predict protein druggability developed using an extensive nonredundant data set A Krasowski, D Muthas, A Sarkar, S Schmitt, R Brenk Journal of chemical information and modeling 51 (11), 2829-2842, 2011 | 104 | 2011 |
Probing molecular docking in a charged model binding site R Brenk, SW Vetter, SE Boyce, DB Goodin, BK Shoichet Journal of molecular biology 357 (5), 1449-1470, 2006 | 86 | 2006 |
Riboswitches as Drug Targets for Antibiotics V Panchal, R Brenk Antibiotics 10 (1), 45, 2021 | 81 | 2021 |
Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation … B Stengl, EA Meyer, A Heine, R Brenk, F Diederich, G Klebe Journal of molecular biology 370 (3), 492-511, 2007 | 72 | 2007 |
De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments R Urich, G Wishart, M Kiczun, A Richters, N Tidten-Luksch, D Rauh, ... ACS chemical biology 8 (5), 1044-1052, 2013 | 70 | 2013 |
Lead Optimization of a Pyrazole Sulfonamide Series of Trypanosoma brucei N-Myristoyltransferase Inhibitors: Identification and Evaluation of CNS Penetrant Compounds as … S Brand, NR Norcross, S Thompson, JR Harrison, VC Smith, ... Journal of medicinal chemistry 57 (23), 9855-9869, 2014 | 69 | 2014 |
Identification of Inhibitors of the Leishmania cdc2‐Related Protein Kinase CRK3 LAT Cleghorn, A Woodland, IT Collie, LS Torrie, N Norcross, T Luksch, ... ChemMedChem 6 (12), 2214-2224, 2011 | 66 | 2011 |
Allosteric Competitive Inhibitors of the Glucose-1-phosphate Thymidylyltransferase (RmlA) from Pseudomonas aeruginosa MS Alphey, L Pirrie, LS Torrie, WA Boulkeroua, M Gardiner, A Sarkar, ... ACS chemical biology 8 (2), 387-396, 2012 | 61 | 2012 |
Mining the ChEMBL database: an efficient chemoinformatics workflow for assembling an ion channel-focused screening library NY Mok, R Brenk Journal of chemical information and modeling 51 (10), 2449-2454, 2011 | 59 | 2011 |
Design, synthesis and biological evaluation of novel inhibitors of Trypanosoma brucei pteridine reductase 1 D Spinks, HB Ong, CP Mpamhanga, EJ Shanks, DA Robinson, IT Collie, ... ChemMedChem 6 (2), 302-308, 2011 | 53 | 2011 |