Verdonk ML - Search Results

1

COSMIC-3D provides structural perspectives on cancer genetics for drug discovery.

Jubb HC, Saini HK, Verdonk ML, Forbes SA. Jubb HC, et al. Among authors: verdonk ml. Nat Genet. 2018 Sep;50(9):1200-1202. doi: 10.1038/s41588-018-0214-9. Nat Genet. 2018. PMID: 30158682 Free PMC article.

2

Detection of secondary binding sites in proteins using fragment screening.

Ludlow RF, Verdonk ML, Saini HK, Tickle IJ, Jhoti H. Ludlow RF, et al. Among authors: verdonk ml. Proc Natl Acad Sci U S A. 2015 Dec 29;112(52):15910-5. doi: 10.1073/pnas.1518946112. Epub 2015 Dec 11. Proc Natl Acad Sci U S A. 2015. PMID: 26655740 Free PMC article.

3

Experiences in fragment-based drug discovery.

Murray CW, Verdonk ML, Rees DC. Murray CW, et al. Among authors: verdonk ml. Trends Pharmacol Sci. 2012 May;33(5):224-32. doi: 10.1016/j.tips.2012.02.006. Epub 2012 Mar 27. Trends Pharmacol Sci. 2012. PMID: 22459076

4

Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network.

Rathi PC, Ludlow RF, Verdonk ML. Rathi PC, et al. Among authors: verdonk ml. J Med Chem. 2020 Aug 27;63(16):8778-8790. doi: 10.1021/acs.jmedchem.9b01129. Epub 2019 Sep 25. J Med Chem. 2020. PMID: 31553186 Free article.

5

Automated protein-ligand crystallography for structure-based drug design.

Mooij WT, Hartshorn MJ, Tickle IJ, Sharff AJ, Verdonk ML, Jhoti H. Mooij WT, et al. Among authors: verdonk ml. ChemMedChem. 2006 Aug;1(8):827-38. doi: 10.1002/cmdc.200600074. ChemMedChem. 2006. PMID: 16902937

6

The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database.

Hall RJ, Murray CW, Verdonk ML. Hall RJ, et al. Among authors: verdonk ml. J Med Chem. 2017 Jul 27;60(14):6440-6450. doi: 10.1021/acs.jmedchem.7b00809. Epub 2017 Jul 15. J Med Chem. 2017. PMID: 28712298

7

A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimera.

Davies TG, Verdonk ML, Graham B, Saalau-Bethell S, Hamlett CC, McHardy T, Collins I, Garrett MD, Workman P, Woodhead SJ, Jhoti H, Barford D. Davies TG, et al. Among authors: verdonk ml. J Mol Biol. 2007 Mar 30;367(3):882-94. doi: 10.1016/j.jmb.2007.01.004. Epub 2007 Jan 9. J Mol Biol. 2007. PMID: 17275837

8

Fragment-based screening using X-ray crystallography and NMR spectroscopy.

Jhoti H, Cleasby A, Verdonk M, Williams G. Jhoti H, et al. Curr Opin Chem Biol. 2007 Oct;11(5):485-93. doi: 10.1016/j.cbpa.2007.07.010. Epub 2007 Sep 11. Curr Opin Chem Biol. 2007. PMID: 17851109 Review.

9

Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions.

Verdonk ML, Ludlow RF, Giangreco I, Rathi PC. Verdonk ML, et al. J Med Chem. 2016 Jul 28;59(14):6891-902. doi: 10.1021/acs.jmedchem.6b00716. Epub 2016 Jul 7. J Med Chem. 2016. PMID: 27353137

10

Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase.

Birch L, Murray CW, Hartshorn MJ, Tickle IJ, Verdonk ML. Birch L, et al. Among authors: verdonk ml. J Comput Aided Mol Des. 2002 Dec;16(12):855-69. doi: 10.1023/a:1023844626572. J Comput Aided Mol Des. 2002. PMID: 12825619

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