Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates BC Doak, B Over, F Giordanetto, J Kihlberg Chemistry & biology 21 (9), 1115-1142, 2014 | 679 | 2014 |
How beyond rule of 5 drugs and clinical candidates bind to their targets BC Doak, J Zheng, D Dobritzsch, J Kihlberg Journal of medicinal chemistry 59 (6), 2312-2327, 2016 | 313 | 2016 |
Cell permeability beyond the rule of 5 P Matsson, BC Doak, B Over, J Kihlberg Advanced drug delivery reviews 101, 42-61, 2016 | 252 | 2016 |
Impact of dynamically exposed polarity on permeability and solubility of chameleonic drugs beyond the rule of 5 M Rossi Sebastiano, BC Doak, M Backlund, V Poongavanam, B Over, ... Journal of medicinal chemistry 61 (9), 4189-4202, 2018 | 179 | 2018 |
Structural and conformational determinants of macrocycle cell permeability B Over, P Matsson, C Tyrchan, P Artursson, BC Doak, MA Foley, ... Nature Chemical Biology 12 (12), 1065-1074, 2016 | 175 | 2016 |
Drug discovery beyond the rule of 5-Opportunities and challenges BC Doak, J Kihlberg Expert Opinion on Drug Discovery 12 (2), 115-119, 2017 | 104 | 2017 |
The ways and means of fragment-based drug design BC Doak, RS Norton, MJ Scanlon Pharmacology & therapeutics 167, 28-37, 2016 | 95 | 2016 |
Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space V Poongavanam, BC Doak, J Kihlberg Current Opinion in Chemical Biology 44, 23-29, 2018 | 76 | 2018 |
Synthesis of unsymmetrical 1, 1′-disubstituted bis (1, 2, 3-triazole) s using monosilylbutadiynes BC Doak, MJ Scanlon, JS Simpson Organic Letters 13 (3), 537-539, 2011 | 58 | 2011 |
Application of Fragment‐Based Screening to the Design of Inhibitors of Escherichia coli DsbA LA Adams, P Sharma, B Mohanty, OV Ilyichova, MD Mulcair, ML Williams, ... Angewandte Chemie 127 (7), 2207-2212, 2015 | 57 | 2015 |
Design and evaluation of the performance of an NMR screening fragment library BC Doak, CJ Morton, JS Simpson, MJ Scanlon Australian Journal of Chemistry 66 (12), 1465-1472, 2013 | 47 | 2013 |
Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis JP Vivian, J Scoullar, K Rimmer, SR Bushell, T Beddoe, MCJ Wilce, ... Journal of molecular biology 394 (5), 931-943, 2009 | 47 | 2009 |
Drug syntheses beyond the rule of 5 M Tyagi, F Begnini, V Poongavanam, BC Doak, J Kihlberg Chemistry–A European Journal 26 (1), 49-88, 2020 | 42 | 2020 |
Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX) MR Bentley, OV Ilyichova, G Wang, ML Williams, G Sharma, WS Alwan, ... Journal of Medicinal Chemistry 63 (13), 6863-6875, 2020 | 24 | 2020 |
Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data B Mohanty, ML Williams, BC Doak, M Vazirani, O Ilyichova, G Wang, ... Journal of biomolecular NMR 66, 195-208, 2016 | 20 | 2016 |
A ligand-induced structural change in fatty acid–binding protein 1 is associated with potentiation of peroxisome proliferator–activated receptor α agonists R Patil, B Mohanty, B Liu, IR Chandrashekaran, SJ Headey, ML Williams, ... Journal of Biological Chemistry 294 (10), 3720-3734, 2019 | 19 | 2019 |
Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens RP Smith, B Mohanty, S Mowlaboccus, JJ Paxman, ML Williams, ... Journal of Biological Chemistry 293 (43), 16559-16571, 2018 | 12 | 2018 |
Design of a fragment-screening library A Taylor, BC Doak, MJ Scanlon Methods in Enzymology 610, 97-115, 2018 | 10 | 2018 |
NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide–dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei S Nebl, WS Alwan, ML Williams, G Sharma, A Taylor, BC Doak, KL Wilde, ... Journal of Biomolecular NMR 74, 595-611, 2020 | 9 | 2020 |
Cyclophilin succumbs to a macrocyclic chameleon BC Doak, J Kihlberg Journal of Medicinal Chemistry 61 (21), 9469-9472, 2018 | 5 | 2018 |