Mark A. Murcko
Mark A. Murcko
Relay Therapeutics
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Cited by
The properties of known drugs. 1. Molecular frameworks
GW Bemis, MA Murcko
Journal of medicinal chemistry 39 (15), 2887-2893, 1996
Virtual screening—an overview
WP Walters, MT Stahl, MA Murcko
Drug discovery today 3 (4), 160-178, 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
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
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
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
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
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
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
Prediction of ‘drug-likeness’
WP Walters, MA Murcko
Advanced drug delivery reviews 54 (3), 255-271, 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
Computational methods to predict binding free energy in ligand-receptor complexes
MA Murcko
Journal of medicinal chemistry 38 (26), 4953-4967, 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
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
Properties of known drugs. 2. Side chains
GW Bemis, MA Murcko
Journal of medicinal chemistry 42 (25), 5095-5099, 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
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
Recognizing molecules with drug-like properties
WP Walters, AA Murcko, MA Murcko
Current opinion in chemical biology 3 (4), 384-387, 1999
Designing libraries with CNS activity
Ajay, GW Bemis, MA Murcko
Journal of medicinal chemistry 42 (24), 4942-4951, 1999
GroupBuild: a fragment-based method for de novo drug design
SH Rotstein, MA Murcko
Journal of medicinal chemistry 36 (12), 1700-1710, 1993
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