Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
Hartshorn, Michael J, Verdonk, Marcel L, Chessari, Gianni, Brewerton, Suzanne C, Mooij, Wijnand T. M, Mortenson, Paul N, Murray, Christopher W
Published in Journal of medicinal chemistry (22.02.2007)
Published in Journal of medicinal chemistry (22.02.2007)
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Journal Article
Improved protein-ligand docking using GOLD
Verdonk, Marcel L., Cole, Jason C., Hartshorn, Michael J., Murray, Christopher W., Taylor, Richard D.
Published in Proteins, structure, function, and bioinformatics (01.09.2003)
Published in Proteins, structure, function, and bioinformatics (01.09.2003)
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Journal Article
Potential and Limitations of Ensemble Docking
Korb, Oliver, Olsson, Tjelvar S. G., Bowden, Simon J., Hall, Richard J., Verdonk, Marcel L., Liebeschuetz, John W., Cole, Jason C.
Published in Journal of chemical information and modeling (25.05.2012)
Published in Journal of chemical information and modeling (25.05.2012)
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Journal Article
General and targeted statistical potentials for protein-ligand interactions
Mooij, Wijnand T. M., Verdonk, Marcel L.
Published in Proteins, structure, function, and bioinformatics (01.11.2005)
Published in Proteins, structure, function, and bioinformatics (01.11.2005)
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Journal Article
Protein−Ligand Docking against Non-Native Protein Conformers
Verdonk, Marcel L, Mortenson, Paul N, Hall, Richard J, Hartshorn, Michael J, Murray, Christopher W
Published in Journal of Chemical Information and Modeling (24.11.2008)
Published in Journal of Chemical Information and Modeling (24.11.2008)
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Journal Article
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
Verdonk, Marcel L, Berdini, Valerio, Hartshorn, Michael J, Mooij, Wijnand T. M, Murray, Christopher W, Taylor, Richard D, Watson, Paul
Published in Journal of Chemical Information and Computer Sciences (01.05.2004)
Published in Journal of Chemical Information and Computer Sciences (01.05.2004)
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Journal Article
Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
Saxty, Gordon, Woodhead, Steven J, Berdini, Valerio, Davies, Thomas G, Verdonk, Marcel L, Wyatt, Paul G, Boyle, Robert G, Barford, David, Downham, Robert, Garrett, Michelle D, Carr, Robin A
Published in Journal of medicinal chemistry (17.05.2007)
Published in Journal of medicinal chemistry (17.05.2007)
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Journal Article
A Structural Comparison of Inhibitor Binding to PKB, PKA and PKA-PKB Chimera
Davies, Thomas G., Verdonk, Marcel L., Graham, Brent, Saalau-Bethell, Susanne, Hamlett, Christopher C.F., McHardy, Tatiana, Collins, Ian, Garrett, Michelle D., Workman, Paul, Woodhead, Steven J., Jhoti, Harren, Barford, David
Published in Journal of molecular biology (30.03.2007)
Published in Journal of molecular biology (30.03.2007)
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Journal Article
Experiences in fragment-based drug discovery
Murray, Christopher W, Verdonk, Marcel L, Rees, David C
Published in Trends in pharmacological sciences (Regular ed.) (01.05.2012)
Published in Trends in pharmacological sciences (Regular ed.) (01.05.2012)
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Journal Article
Automated Protein-Ligand Crystallography for Structure-Based Drug Design
Mooij, Wijnand T. M., Hartshorn, Michael J., Tickle, Ian J., Sharff, Andrew J., Verdonk, Marcel L., Jhoti, Harren
Published in ChemMedChem (01.08.2006)
Published in ChemMedChem (01.08.2006)
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Journal Article
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
Hall, Richard J, Murray, Christopher W, Verdonk, Marcel L
Published in Journal of medicinal chemistry (27.07.2017)
Published in Journal of medicinal chemistry (27.07.2017)
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Journal Article
COSMIC-3D provides structural perspectives on cancer genetics for drug discovery
Jubb, Harry C, Saini, Harpreet K, Verdonk, Marcel L, Forbes, Simon A
Published in Nature genetics (01.09.2018)
Published in Nature genetics (01.09.2018)
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Journal Article
Docking Performance of Fragments and Druglike Compounds
Verdonk, Marcel L, Giangreco, Ilenia, Hall, Richard J, Korb, Oliver, Mortenson, Paul N, Murray, Christopher W
Published in Journal of medicinal chemistry (11.08.2011)
Published in Journal of medicinal chemistry (11.08.2011)
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Journal Article
Predicting “Hot” and “Warm” Spots for Fragment Binding
Rathi, Prakash Chandra, Ludlow, R. Frederick, Hall, Richard J, Murray, Christopher W, Mortenson, Paul N, Verdonk, Marcel L
Published in Journal of medicinal chemistry (11.05.2017)
Published in Journal of medicinal chemistry (11.05.2017)
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Journal Article