| Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment I Kufareva, M Rueda, V Katritch, RC Stevens, R Abagyan Structure 19 (8), 1108-1126, 2011 | 343 | 2011 |
| The significance of acid/base properties in drug discovery DT Manallack, RJ Prankerd, E Yuriev, TI Oprea, DK Chalmers Chemical Society Reviews 42 (2), 485-496, 2013 | 321 | 2013 |
| Comparisons of the HBV and HIV polymerase, and antiviral resistance mutations A Bartholomeusz, BG Tehan, DK Chalmers Antiviral therapy 9 (2), 149-160, 2004 | 185 | 2004 |
| Pro-D-NMe-amino acid and D-Pro-NMe-amino acid: simple, efficient reverse-turn constraints DK Chalmers, GR Marshall Journal of the American Chemical Society 117 (22), 5927-5937, 1995 | 179 | 1995 |
| Free energy methods in drug design: prospects of “alchemical perturbation” in medicinal chemistry: miniperspective BJ Williams-Noonan, E Yuriev, DK Chalmers Journal of medicinal chemistry 61 (3), 638-649, 2018 | 164 | 2018 |
| Discovery of 7-Hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (BNC105), a Tubulin Polymerization Inhibitor with Potent Antiproliferative … BL Flynn, GS Gill, DW Grobelny, JH Chaplin, D Paul, AF Leske, ... Journal of medicinal chemistry 54 (17), 6014-6027, 2011 | 164 | 2011 |
| Potent and long-acting dimeric inhibitors of influenza virus neuraminidase are effective at a once-weekly dosing regimen SJF Macdonald, KG Watson, R Cameron, DK Chalmers, DA Demaine, ... Antimicrobial agents and chemotherapy 48 (12), 4542-4549, 2004 | 121 | 2004 |
| Molecular dynamics simulations of spontaneous bile salt aggregation DB Warren, DK Chalmers, K Hutchison, W Dang, CW Pouton Colloids and Surfaces A: Physicochemical and Engineering Aspects 280 (1-3 …, 2006 | 116 | 2006 |
| Homology modeling and docking evaluation of aminergic G protein-coupled receptors FM McRobb, B Capuano, IT Crosby, DK Chalmers, E Yuriev Journal of chemical information and modeling 50 (4), 626-637, 2010 | 113 | 2010 |
| 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder RN Brown, R Cameron, DK Chalmers, S Hamilton, A Luttick, GY Krippner, ... Bioorganic & medicinal chemistry letters 15 (8), 2051-2055, 2005 | 88 | 2005 |
| Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Wielens, SJ Headey, DI Rhodes, RJ Mulder, O Dolezal, JJ Deadman, ... Journal of Biomolecular Screening 18 (2), 147-159, 2013 | 81 | 2013 |
| A three-dimensional model of the human immunodeficiency virus type 1 integration complex J Wielens, IT Crosby, DK Chalmers Journal of computer-aided molecular design 19, 301-317, 2005 | 75 | 2005 |
| Electrochemical cyclization of dipeptides to form novel bicyclic, reverse-turn peptidomimetics. 2. Synthesis and conformational analysis of 6, 5-bicyclic systems U Slomczynska, DK Chalmers, F Cornille, ML Smythe, DD Beusen, ... The Journal of Organic Chemistry 61 (4), 1198-1204, 1996 | 69 | 1996 |
| An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus KG Watson, RN Brown, R Cameron, DK Chalmers, S Hamilton, B Jin, ... Journal of medicinal chemistry 46 (15), 3181-3184, 2003 | 68 | 2003 |
| 2-Aminothienopyridazines as Novel Adenosine A1 Receptor Allosteric Modulators and Antagonists GN Ferguson, C Valant, J Horne, H Figler, BL Flynn, J Linden, ... Journal of medicinal chemistry 51 (19), 6165-6172, 2008 | 67 | 2008 |
| Digestion of phospholipids after secretion of bile into the duodenum changes the phase behavior of bile components WA Birru, DB Warren, A Ibrahim, HD Williams, H Benameur, CJH Porter, ... Molecular pharmaceutics 11 (8), 2825-2834, 2014 | 57 | 2014 |
| A chemogenomic analysis of ionization constants—implications for drug discovery DT Manallack, RJ Prankerd, GC Nassta, O Ursu, TI Oprea, DK Chalmers ChemMedChem 8 (2), 242-255, 2013 | 57 | 2013 |
| Cyclosporin structure and permeability: from A to Z and beyond KM Corbett, L Ford, DB Warren, CW Pouton, DK Chalmers Journal of Medicinal Chemistry 64 (18), 13131-13151, 2021 | 55 | 2021 |
| Polymeric precipitation inhibitors promote fenofibrate supersaturation and enhance drug absorption from a type IV lipid-based formulation EJA Suys, DK Chalmers, CW Pouton, CJH Porter Molecular pharmaceutics 15 (6), 2355-2371, 2018 | 51 | 2018 |
| Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site J Wielens, SJ Headey, D Jeevarajah, DI Rhodes, J Deadman, ... FEBS letters 584 (8), 1455-1462, 2010 | 51 | 2010 |
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