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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1999 1
2001 3
2002 5
2003 3
2004 1
2005 4
2006 3
2007 1
2008 4
2009 6
2010 4
2011 2
2012 2
2013 6
2014 4
2015 6
2016 1
2020 0
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55 results
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Page 1
Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65.
Huang XP, Karpiak J, Kroeze WK, Zhu H, Chen X, Moy SS, Saddoris KA, Nikolova VD, Farrell MS, Wang S, Mangano TJ, Deshpande DA, Jiang A, Penn RB, Jin J, Koller BH, Kenakin T, Shoichet BK, Roth BL. Huang XP, et al. Nature. 2015 Nov 26;527(7579):477-83. doi: 10.1038/nature15699. Epub 2015 Nov 9. Nature. 2015. PMID: 26550826 Free PMC article.
Structure-based drug screening for G-protein-coupled receptors.
Shoichet BK, Kobilka BK. Shoichet BK, et al. Trends Pharmacol Sci. 2012 May;33(5):268-72. doi: 10.1016/ Epub 2012 Apr 13. Trends Pharmacol Sci. 2012. PMID: 22503476 Free PMC article. Review.
Lead discovery using molecular docking.
Shoichet BK, McGovern SL, Wei B, Irwin JJ. Shoichet BK, et al. Curr Opin Chem Biol. 2002 Aug;6(4):439-46. doi: 10.1016/s1367-5931(02)00339-3. Curr Opin Chem Biol. 2002. PMID: 12133718 Review.
Decoys for docking.
Graves AP, Brenk R, Shoichet BK. Graves AP, et al. J Med Chem. 2005 Jun 2;48(11):3714-28. doi: 10.1021/jm0491187. J Med Chem. 2005. PMID: 15916423 Free PMC article.
Hierarchical docking of databases of multiple ligand conformations.
Lorber DM, Shoichet BK. Lorber DM, et al. Curr Top Med Chem. 2005;5(8):739-49. doi: 10.2174/1568026054637683. Curr Top Med Chem. 2005. PMID: 16101414 Free PMC article. Review.
Prediction of protein-ligand interactions. Docking and scoring: successes and gaps.
Leach AR, Shoichet BK, Peishoff CE. Leach AR, et al. J Med Chem. 2006 Oct 5;49(20):5851-5. doi: 10.1021/jm060999m. J Med Chem. 2006. PMID: 17004700 Review. No abstract available.
Ligand pose and orientational sampling in molecular docking.
Coleman RG, Carchia M, Sterling T, Irwin JJ, Shoichet BK. Coleman RG, et al. PLoS One. 2013 Oct 1;8(10):e75992. doi: 10.1371/journal.pone.0075992. eCollection 2013. PLoS One. 2013. PMID: 24098414 Free PMC article.
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
Coleman RG, Sterling T, Weiss DR. Coleman RG, et al. J Comput Aided Mol Des. 2014 Mar;28(3):201-9. doi: 10.1007/s10822-014-9722-6. Epub 2014 Feb 11. J Comput Aided Mol Des. 2014. PMID: 24515818 Free PMC article.
Structure-based discovery of antagonists of nuclear receptor LRH-1.
Benod C, Carlsson J, Uthayaruban R, Hwang P, Irwin JJ, Doak AK, Shoichet BK, Sablin EP, Fletterick RJ. Benod C, et al. J Biol Chem. 2013 Jul 5;288(27):19830-44. doi: 10.1074/jbc.M112.411686. Epub 2013 May 10. J Biol Chem. 2013. PMID: 23667258 Free PMC article.
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