| The properties of known drugs. 1. Molecular frameworks GW Bemis, MA Murcko Journal of medicinal chemistry 39 (15), 2887-2893, 1996 | 2269 | 1996 |
| Virtual screening—an overview WP Walters, MT Stahl, MA Murcko Drug discovery today 3 (4), 160-178, 1998 | 1417 | 1998 |
| Structure and mechanism of interleukin-lβ converting enzyme KP Wilson, JAF Black, JA Thomson, EE Kim, JP Griffith, MA Navia, ... Nature 370 (6487), 270-275, 1994 | 1254 | 1994 |
| Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ... Journal of the American Chemical Society 137 (7), 2695-2703, 2015 | 1102 | 2015 |
| Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide JL Kim, KA Morgenstern, C Lin, T Fox, MD Dwyer, JA Landro, ... Cell 87 (2), 343-355, 1996 | 985 | 1996 |
| Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins PS Charifson, JJ Corkery, MA Murcko, WP Walters Journal of medicinal chemistry 42 (25), 5100-5109, 1999 | 955 | 1999 |
| Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding JL Kim, KA Morgenstern, JP Griffith, MD Dwyer, JA Thomson, MA Murcko, ... Structure 6 (1), 89-100, 1998 | 827 | 1998 |
| Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme EE Kim, CT Baker, MD Dwyer, MA Murcko, BG Rao, RD Tung, MA Navia Journal of the American Chemical Society 117 (3), 1181-1182, 1995 | 580 | 1995 |
| Can we learn to distinguish between “drug-like” and “nondrug-like” molecules? Ajay, WP Walters, MA Murcko Journal of medicinal chemistry 41 (18), 3314-3324, 1998 | 563 | 1998 |
| Prediction of ‘drug-likeness’ WP Walters, MA Murcko Advanced drug delivery reviews 54 (3), 255-271, 2002 | 534 | 2002 |
| Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid MD Sintchak, MA Fleming, O Futer, SA Raybuck, SP Chambers, ... Cell 85 (6), 921-930, 1996 | 519 | 1996 |
| Computational methods to predict binding free energy in ligand-receptor complexes MA Murcko Journal of medicinal chemistry 38 (26), 4953-4967, 1995 | 417 | 1995 |
| What do medicinal chemists actually make? A 50-year retrospective WP Walters, J Green, JR Weiss, MA Murcko Journal of medicinal chemistry 54 (19), 6405-6416, 2011 | 402 | 2011 |
| The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase KP Wilson, PG McCaffrey, K Hsiao, S Pazhanisamy, V Galullo, GW Bemis, ... Chemistry & biology 4 (6), 423-431, 1997 | 373 | 1997 |
| Properties of known drugs. 2. Side chains GW Bemis, MA Murcko Journal of medicinal chemistry 42 (25), 5095-5099, 1999 | 363 | 1999 |
| Evidence for the direct involvement of the rhinovirus canyon in receptor binding. RJ Colonno, JH Condra, S Mizutani, PL Callahan, ME Davies, MA Murcko Proceedings of the National Academy of Sciences 85 (15), 5449-5453, 1988 | 314 | 1988 |
| The SHAPES strategy: an NMR-based approach for lead generation in drug discovery J Fejzo, CA Lepre, JW Peng, GW Bemis, MA Murcko, JM Moore Chemistry & biology 6 (10), 755-769, 1999 | 312 | 1999 |
| Recognizing molecules with drug-like properties WP Walters, AA Murcko, MA Murcko Current opinion in chemical biology 3 (4), 384-387, 1999 | 312 | 1999 |
| Designing libraries with CNS activity Ajay, GW Bemis, MA Murcko Journal of medicinal chemistry 42 (24), 4942-4951, 1999 | 306 | 1999 |
| GroupBuild: a fragment-based method for de novo drug design SH Rotstein, MA Murcko Journal of medicinal chemistry 36 (12), 1700-1710, 1993 | 290 | 1993 |
