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Predicting "Hot" and "Warm" Spots for Fragment Binding.
Rathi PC, Ludlow RF, Hall RJ, Murray CW, Mortenson PN, Verdonk ML. Rathi PC, et al. Among authors: verdonk ml. J Med Chem. 2017 May 11;60(9):4036-4046. doi: 10.1021/acs.jmedchem.7b00366. Epub 2017 Apr 21. J Med Chem. 2017. PMID: 28376303
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.
Docking performance of fragments and druglike compounds.
Verdonk ML, Giangreco I, Hall RJ, Korb O, Mortenson PN, Murray CW. Verdonk ML, et al. J Med Chem. 2011 Aug 11;54(15):5422-31. doi: 10.1021/jm200558u. Epub 2011 Jul 6. J Med Chem. 2011. PMID: 21692478
Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
Norton D, Bonnette WG, Callahan JF, Carr MG, Griffiths-Jones CM, Heightman TD, Kerns JK, Nie H, Rich SJ, Richardson C, Rumsey W, Sanchez Y, Verdonk ML, Willems HMG, Wixted WE, Wolfe L 3rd, Woolford AJ, Wu Z, Davies TG. Norton D, et al. Among authors: verdonk ml. J Med Chem. 2021 Nov 11;64(21):15949-15972. doi: 10.1021/acs.jmedchem.1c01351. Epub 2021 Oct 27. J Med Chem. 2021. PMID: 34705450
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
43 results