| A quantum chemical explanation of the antioxidant activity of flavonoids SABE van Acker, MJ de Groot, DJ van den Berg, MNJL Tromp, ... Chemical research in toxicology 9 (8), 1305-1312, 1996 | 554 | 1996 |
| Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites S Ekins, MJ de Groot, JP Jones Drug metabolism and disposition 29 (7), 936-944, 2001 | 319 | 2001 |
| Voltage sensor interaction site for selective small molecule inhibitors of voltage-gated sodium channels K McCormack, S Santos, ML Chapman, DS Krafte, BE Marron, CW West, ... Proceedings of the National Academy of Sciences 110 (29), E2724-E2732, 2013 | 235 | 2013 |
| Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6 MJ de Groot, MJ Ackland, VA Horne, AA Alex, BC Jones Journal of medicinal chemistry 42 (9), 1515-1524, 1999 | 233 | 1999 |
| A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and … MJ de Groot, MJ Ackland, VA Horne, AA Alex, BC Jones Journal of medicinal chemistry 42 (20), 4062-4070, 1999 | 205 | 1999 |
| Structural determinants of HERG channel block by clofilium and ibutilide M Perry, MJ de Groot, R Helliwell, D Leishman, M Tristani-Firouzi, ... Molecular pharmacology 66 (2), 240-249, 2004 | 191 | 2004 |
| Designing better drugs: predicting cytochrome P450 metabolism MJ De Groot Drug discovery today 11 (13-14), 601-606, 2006 | 162 | 2006 |
| Pharmacophore modeling of cytochromes P450 MJ de Groot, S Ekins Advanced drug delivery reviews 54 (3), 367-383, 2002 | 161 | 2002 |
| Predicting penetration across the blood-brain barrier from simple descriptors and fragmentation schemes YH Zhao, MH Abraham, A Ibrahim, PV Fish, S Cole, ML Lewis, ... Journal of chemical information and modeling 47 (1), 170-175, 2007 | 157 | 2007 |
| Greater than the sum of its parts: combining models for useful ADMET prediction SE O'Brien, MJ de Groot Journal of medicinal chemistry 48 (4), 1287-1291, 2005 | 151 | 2005 |
| Development of a combined protein and pharmacophore model for cytochrome P450 2C9 MJ de Groot, AA Alex, BC Jones Journal of medicinal chemistry 45 (10), 1983-1993, 2002 | 148 | 2002 |
| Subtype‐selective targeting of voltage‐gated sodium channels S England, MJ de Groot British journal of pharmacology 158 (6), 1413-1425, 2009 | 140 | 2009 |
| Genetic Basis for Differential Activities of Fluconazole and Voriconazole against Candida krusei T Fukuoka, DA Johnston, CA Winslow, MJ de Groot, C Burt, CA Hitchcock, ... Antimicrobial agents and chemotherapy 47 (4), 1213-1219, 2003 | 135 | 2003 |
| Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9 R Lonsdale, KT Houghton, J Żurek, CM Bathelt, N Foloppe, MJ de Groot, ... Journal of the American Chemical Society 135 (21), 8001-8015, 2013 | 124 | 2013 |
| A three-dimensional protein model for human cytochrome P450 2D6 based on the crystal structures of P450 101, P450 102, and P450 108 MJ de Groot, NPE Vermeulen, JD Kramer, FAA van Acker, ... Chemical research in toxicology 9 (7), 1079-1091, 1996 | 115 | 1996 |
| Drug binding interactions in the inner cavity of HERG channels: molecular insights from structure-activity relationships of clofilium and ibutilide analogs M Perry, PJ Stansfeld, J Leaney, C Wood, MJ De Groot, D Leishman, ... Molecular pharmacology 69 (2), 509-519, 2006 | 102 | 2006 |
| Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc DA Price, D Armour, M de Groot, D Leishman, C Napier, M Perros, ... Bioorganic & medicinal chemistry letters 16 (17), 4633-4637, 2006 | 91 | 2006 |
| A refined substrate model for human cytochrome P450 2D6 MJ de Groot, GJ Bijloo, BJ Martens, FAA van Acker, NPE Vermeulen Chemical research in toxicology 10 (1), 41-48, 1997 | 91 | 1997 |
| In silico methods for predicting ligand binding determinants of cytochromes P450 MJ de Groot, SB Kirton, MJ Sutcliffe Current topics in medicinal chemistry 4 (16), 1803-1824, 2004 | 80 | 2004 |
| Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and … NA Swain, D Batchelor, S Beaudoin, BM Bechle, PA Bradley, AD Brown, ... Journal of Medicinal Chemistry 60 (16), 7029-7042, 2017 | 76 | 2017 |
