| Derivation and validation of toxicophores for mutagenicity prediction J Kazius, R McGuire, R Bursi Journal of medicinal chemistry 48 (1), 312-320, 2005 | 801 | 2005 |
| Current progress in structure-based rational drug design marks a new mindset in drug discovery V Lounnas, T Ritschel, J Kelder, R McGuire, RP Bywater, N Foloppe Computational and structural biotechnology journal 5 (6), e201302011, 2013 | 287 | 2013 |
| Data-driven medicinal chemistry in the era of big data SJ Lusher, R McGuire, RC van Schaik, CD Nicholson, J de Vlieg Drug discovery today 19 (7), 859-868, 2014 | 179 | 2014 |
| The first potent and selective inhibitors of the glycine transporter type 2 WL Caulfield, IT Collie, RS Dickins, O Epemolu, R McGuire, DR Hill, ... Journal of medicinal chemistry 44 (17), 2679-2682, 2001 | 123 | 2001 |
| From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling MPA Sanders, R McGuire, L Roumen, IJP de Esch, J de Vlieg, JPG Klomp, ... MedChemComm 3 (1), 28-38, 2012 | 119 | 2012 |
| Development of an activity-based probe and in silico design reveal highly selective inhibitors for diacylglycerol lipase-α in brain MP Baggelaar, FJ Janssen, ACM van Esbroeck, H den Dulk, M Allarà, ... Angew Chem Int Ed Engl 52 (46), 12081-12085, 2013 | 105 | 2013 |
| Drug design for ever, from hype to hope G Seddon, V Lounnas, R McGuire, T Van Den Bergh, RP Bywater, ... Journal of computer-aided molecular design 26, 137-150, 2012 | 74 | 2012 |
| Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments S Gibson, R McGuire, DC Rees Journal of medicinal chemistry 39 (20), 4065-4072, 1996 | 71 | 1996 |
| X-ray structures of the LXRα LBD in its homodimeric form and implications for heterodimer signaling X Fradera, D Vu, O Nimz, R Skene, D Hosfield, R Wynands, AJ Cooke, ... Journal of molecular biology 399 (1), 120-132, 2010 | 66 | 2010 |
| Conformationally Constrained Anesthetic Steroids That Modulate GABAA Receptors A Anderson, AC Boyd, JK Clark, L Fielding, DK Gemmell, NM Hamilton, ... Journal of medicinal chemistry 43 (22), 4118-4125, 2000 | 56 | 2000 |
| Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators SJ Lusher, HCA Raaijmakers, D Vu-Pham, K Dechering, TW Lam, ... Journal of Biological Chemistry 286 (40), 35079-35086, 2011 | 51 | 2011 |
| Discovery of Glycine Sulfonamides as Dual Inhibitors of sn-1-Diacylglycerol Lipase α and α/β-Hydrolase Domain 6 FJ Janssen, H Deng, MP Baggelaar, M Allarà, T van der Wel, H den Dulk, ... Journal of Medicinal Chemistry 57 (15), 6610-6622, 2014 | 49 | 2014 |
| Org 214007-0: a novel non-steroidal selective glucocorticoid receptor modulator with full anti-inflammatory properties and improved therapeutic index MJC van Lierop, W Alkema, AJ Laskewitz, R Dijkema, ... PLoS One 7 (11), e48385, 2012 | 43 | 2012 |
| A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design MPA Sanders, L Roumen, E Van der Horst, JR Lane, HF Vischer, ... Journal of Medicinal Chemistry 55 (11), 5311-5325, 2012 | 39 | 2012 |
| X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11β-substituted steroids SJ Lusher, HCA Raaijmakers, D Vu-Pham, B Kazemier, R Bosch, ... Journal of Biological Chemistry 287 (24), 20333-20343, 2012 | 38 | 2012 |
| 3D-e-Chem-VM: structural cheminformatics research infrastructure in a freely available virtual machine R McGuire, S Verhoeven, M Vass, G Vriend, IJP De Esch, SJ Lusher, ... Journal of Chemical Information and Modeling 57 (2), 115-121, 2017 | 29 | 2017 |
| α-Amino Acid Phenolic Ester Derivatives: Novel Water-Soluble General Anesthetic Agents Which Allosterically Modulate GABAA Receptors A Anderson, D Belelli, DJ Bennett, KI Buchanan, A Casula, A Cooke, ... Journal of medicinal chemistry 44 (22), 3582-3591, 2001 | 27 | 2001 |
| A molecular informatics view on best practice in multi-parameter compound optimization SJ Lusher, R McGuire, R Azevedo, JW Boiten, RC van Schaik, J de Vlieg Drug discovery today 16 (13-14), 555-568, 2011 | 23 | 2011 |
| 3D‐e‐Chem: Structural cheminformatics workflows for computer‐aided drug discovery AJ Kooistra, M Vass, R McGuire, R Leurs, IJP de Esch, G Vriend, ... ChemMedChem 13 (6), 614-626, 2018 | 22 | 2018 |
| Design and synthesis of a maximally diverse and druglike screening library using REM resin methodology D Barn, W Caulfield, P Cowley, R Dickins, WI Bakker, R McGuire, ... Journal of Combinatorial Chemistry 3 (6), 534-541, 2001 | 20 | 2001 |
