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The use of in vitro peptide binding profiles and in silico ligand-receptor interaction profiles to describe ligand-induced conformations of the retinoid X receptor alpha ligand-binding domain.
Folkertsma S, van Noort PI, de Heer A, Carati P, Brandt R, Visser A, Vriend G, de Vlieg J. Folkertsma S, et al. Among authors: de vlieg j, de heer a. Mol Endocrinol. 2007 Jan;21(1):30-48. doi: 10.1210/me.2006-0072. Epub 2006 Oct 12. Mol Endocrinol. 2007. PMID: 17038419
Data-driven medicinal chemistry in the era of big data.
Lusher SJ, McGuire R, van Schaik RC, Nicholson CD, de Vlieg J. Lusher SJ, et al. Among authors: de vlieg j. Drug Discov Today. 2014 Jul;19(7):859-68. doi: 10.1016/j.drudis.2013.12.004. Epub 2013 Dec 17. Drug Discov Today. 2014. PMID: 24361338 Review.
X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11β-substituted steroids.
Lusher SJ, Raaijmakers HC, Vu-Pham D, Kazemier B, Bosch R, McGuire R, Azevedo R, Hamersma H, Dechering K, Oubrie A, van Duin M, de Vlieg J. Lusher SJ, et al. Among authors: de vlieg j. J Biol Chem. 2012 Jun 8;287(24):20333-43. doi: 10.1074/jbc.M111.308403. Epub 2012 Apr 25. J Biol Chem. 2012. PMID: 22535964 Free PMC article.
Org 214007-0: a novel non-steroidal selective glucocorticoid receptor modulator with full anti-inflammatory properties and improved therapeutic index.
van Lierop MJ, Alkema W, Laskewitz AJ, Dijkema R, van der Maaden HM, Smit MJ, Plate R, Conti PG, Jans CG, Timmers CM, van Boeckel CA, Lusher SJ, McGuire R, van Schaik RC, de Vlieg J, Smeets RL, Hofstra CL, Boots AM, van Duin M, Ingelse BA, Schoonen WG, Grefhorst A, van Dijk TH, Kuipers F, Dokter WH. van Lierop MJ, et al. Among authors: de vlieg j. PLoS One. 2012;7(11):e48385. doi: 10.1371/journal.pone.0048385. Epub 2012 Nov 12. PLoS One. 2012. PMID: 23152771 Free PMC article.
A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design.
Sanders MP, Roumen L, van der Horst E, Lane JR, Vischer HF, van Offenbeek J, de Vries H, Verhoeven S, Chow KY, Verkaar F, Beukers MW, McGuire R, Leurs R, Ijzerman AP, de Vlieg J, de Esch IJ, Zaman GJ, Klomp JP, Bender A, de Graaf C. Sanders MP, et al. Among authors: de vlieg j. J Med Chem. 2012 Jun 14;55(11):5311-25. doi: 10.1021/jm300280e. Epub 2012 May 23. J Med Chem. 2012. PMID: 22563707
46 results