| Improved protein–ligand docking using GOLD ML Verdonk, JC Cole, MJ Hartshorn, CW Murray, RD Taylor Proteins: Structure, Function, and Bioinformatics 52 (4), 609-623, 2003 | 3326 | 2003 |
| Rings in Drugs: Miniperspective RD Taylor, M MacCoss, ADG Lawson Journal of medicinal chemistry 57 (14), 5845-5859, 2014 | 2035 | 2014 |
| A review of protein-small molecule docking methods RD Taylor, PJ Jewsbury, JW Essex Journal of computer-aided molecular design 16, 151-166, 2002 | 1007 | 2002 |
| Virtual screening using protein-ligand docking: avoiding artificial enrichment ML Verdonk, V Berdini, MJ Hartshorn, WTM Mooij, CW Murray, RD Taylor, ... Journal of chemical information and computer sciences 44 (3), 793-806, 2004 | 495 | 2004 |
| Modeling water molecules in protein-ligand docking using GOLD ML Verdonk, G Chessari, JC Cole, MJ Hartshorn, CW Murray, ... Journal of Medicinal Chemistry 48 (20), 6504-6515, 2005 | 469 | 2005 |
| Comparing protein–ligand docking programs is difficult JC Cole, CW Murray, JWM Nissink, RD Taylor, R Taylor Proteins: Structure, Function, and Bioinformatics 60 (3), 325-332, 2005 | 420 | 2005 |
| Rings in clinical trials and drugs: Present and future J Shearer, JL Castro, ADG Lawson, M MacCoss, RD Taylor Journal of Medicinal Chemistry 65 (13), 8699-8712, 2022 | 130 | 2022 |
| Prediction of binding modes for ligands in the cytochromes P450 and other heme‐containing proteins SB Kirton, CW Murray, ML Verdonk, RD Taylor Proteins: Structure, Function, and Bioinformatics 58 (4), 836-844, 2005 | 124 | 2005 |
| FDS: Flexible ligand and receptor docking with a continuum solvent model and soft‐core energy function RD Taylor, PJ Jewsbury, JW Essex Journal of computational chemistry 24 (13), 1637-1656, 2003 | 124 | 2003 |
| A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development GL Adrian, V Marcel, BG Robert, R Taylor Current Topics in Medicinal Chemistry 7 (14), 1408-1422, 2007 | 73 | 2007 |
| Combining Molecular Scaffolds from FDA Approved Drugs: Application to Drug Discovery: Miniperspective RD Taylor, M MacCoss, ADG Lawson Journal of medicinal chemistry 60 (5), 1638-1647, 2017 | 61 | 2017 |
| Novel potent BRAF inhibitors: toward 1 nM compounds through optimization of the central phenyl ring D Ménard, I Niculescu-Duvaz, HP Dijkstra, D Niculescu-Duvaz, ... Journal of medicinal chemistry 52 (13), 3881-3891, 2009 | 61 | 2009 |
| Pyridoimidazolones as novel potent inhibitors of v-Raf murine sarcoma viral oncogene homologue B1 (BRAF) D Niculescu-Duvaz, C Gaulon, HP Dijkstra, I Niculescu-Duvaz, A Zambon, ... Journal of medicinal chemistry 52 (8), 2255-2264, 2009 | 50 | 2009 |
| Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein: protein interaction and modulates its downstream signaling R Adams, RJ Burnley, CR Valenzano, O Qureshi, C Doyle, S Lumb, ... Scientific reports 7 (1), 1-15, 2017 | 43 | 2017 |
| Water molecules at protein–drug interfaces: computational prediction and analysis methods ML Samways, RD Taylor, HEB Macdonald, JW Essex Chemical Society Reviews 50 (16), 9104-9120, 2021 | 38 | 2021 |
| Computational design of an epitope-specific Keap1 binding antibody using hotspot residues grafting and CDR loop swapping X Liu, RD Taylor, L Griffin, SF Coker, R Adams, T Ceska, J Shi, ... Scientific Reports 7 (1), 1-11, 2017 | 35 | 2017 |
| Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR D Stöppler, A Macpherson, S Smith-Penzel, N Basse, F Lecomte, ... PLoS biology 16 (5), e2006192, 2018 | 32 | 2018 |
| Efficient generalized Born models for Monte Carlo simulations J Michel, RD Taylor, JW Essex Journal of Chemical Theory and Computation 2 (3), 732-739, 2006 | 32 | 2006 |
| Imidazo [4, 5-b] pyridin-2-one and oxazolo [4, 5-b] pyridin-2-one compounds and analogs thereof as therapeutic compounds D Niculescu-Duvaz, CJ Springer, AL Gill, RD Taylor, RM Marais, ... US Patent 7,625,922, 2009 | 28 | 2009 |
| Structure-based virtual screening for novel ligands WR Pitt, MD Calmiano, B Kroeplien, RD Taylor, JP Turner, MA King Protein-Ligand Interactions: Methods and Applications, 501-519, 2013 | 23 | 2013 |
Marcel VerdonkVerified email at verdonk.co.uk
