Author

Mark A. Murcko

Observed names: M A Murcko, M Murcko, M. A. MURCKO, M. A. Murcko, M. MURCKO, M.A Murcko, M.A. Murcko, Marck Murcko, Mark A Murcko, Mark Murcko, MarkA. Murcko

Observed institutions: Merck & Co., Inc., Rahway, NJ, USA (United States), Université Joseph Fourier, Schrodinger (United States), Washington University in St. Louis, University of Massachusetts Amherst, Yale University, Relay Therapeutics (United States), Vertex Pharmaceuticals (United States)

ORCID: 0000-0002-1235-2869

Observed ORCID: 0000-0002-1235-2869

OpenAlex ID: A5034115392

The Properties of Known Drugs. 1. Molecular Frameworks

1996 · Guy W. Bemis, Mark A. Murcko · Journal of Medicinal Chemistry · 2,487

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

2015 · Lingle Wang, Yujie Wu, et al. · Journal of the American Chemical Society · 1,294

Virtual screening—an overview

1998 · W.Patrick Walters, Matthew T Stahl, et al. · Drug Discovery Today · 992

Structure and mechanism of interleukin-lβ converting enzyme

1994 · Keith P. Wilson, Jo-Anne F. Black, et al. · Nature · 847

Crystal Structure of the Hepatitis C Virus NS3 Protease Domain Complexed with a Synthetic NS4A Cofactor Peptide

1996 · J.L Kim, K.A Morgenstern, et al. · Cell · 727

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Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins

1999 · Paul S. Charifson, Joseph J. Corkery, et al. · Journal of Medicinal Chemistry · 696

Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding

1998 · Joseph L Kim, Kurt A Morgenstern, et al. · Structure · 620

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Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?

1998 · Ajay, W. Patrick Walters, et al. · Journal of Medicinal Chemistry · 482

Prediction of ‘drug-likeness’

2002 · W.Patrick Walters, Mark A Murcko · Advanced Drug Delivery Reviews · 441

Structure and Mechanism of Inosine Monophosphate Dehydrogenase in Complex with the Immunosuppressant Mycophenolic Acid

1996 · Michael D. Sintchak, Mark A. Fleming, et al. · Cell · 423

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Modulating biomolecular condensates: a novel approach to drug discovery

2022 · Diana M. Mitrea, Matthäus Mittasch, et al. · Nature Reviews Drug Discovery · 402

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Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme

1995 · E. E. Kim, C. T. Baker, et al. · Journal of the American Chemical Society · 390

What Do Medicinal Chemists Actually Make? A 50-Year Retrospective

2011 · W. Patrick Walters, Jeremy Green, et al. · Journal of Medicinal Chemistry · 387

Computational Methods to Predict Binding Free Energy in Ligand-Receptor Complexes

1995 · Mark A. Murcko · Journal of Medicinal Chemistry · 366

Designing Libraries with CNS Activity

1999 · Ajay, Guy W. Bemis, et al. · Journal of Medicinal Chemistry · 316

The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase

1997 · Keith P. Wilson, Patricia G. McCaffrey, et al. · Chemistry & Biology · 274

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The SHAPES strategy: an NMR-based approach for lead generation in drug discovery

1999 · Jasna Fejzo, Christopher A Lepre, et al. · Chemistry & Biology · 272

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Properties of Known Drugs. 2. Side Chains

1999 · Guy W. Bemis, Mark A. Murcko · Journal of Medicinal Chemistry · 271

Recognizing molecules with drug-like properties

1999 · W Patrick Walters, Ajay A Murcko, et al. · Current Opinion in Chemical Biology · 266

Assessing the impact of generative AI on medicinal chemistry

2020 · W. Patrick Walters, Mark Murcko · Nature Biotechnology · 257

Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2

2014 · Michael P. Clark, Mark W. Ledeboer, et al. · Journal of Medicinal Chemistry · 219

Solvent Effects on 1,2-Dihaloethane Gauche/Trans Ratios

1995 · Kenneth B. Wiberg, Todd A. Keith, et al. · The Journal of Physical Chemistry · 217

Evidence for the direct involvement of the rhinovirus canyon in receptor binding.

1988 · R J Colonno, J H Condra, et al. · Proceedings of the National Academy of Sciences · 211

Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma

1989 · John J. Baldwin, Gerald S. Ponticello, et al. · Journal of Medicinal Chemistry · 197

GroupBuild: a fragment-based method for de novo drug design

1993 · Sergio H. Rotstein, Mark A. Murcko · Journal of Medicinal Chemistry · 192

Works count: 123

Citation count: 16,620

H-index: 52

I10-index: 75