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Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
O'Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK. O'Donnell HR, et al. Among authors: shoichet bk. J Med Chem. 2021 Dec 9;64(23):17530-17539. doi: 10.1021/acs.jmedchem.1c01547. Epub 2021 Nov 23. J Med Chem. 2021. PMID: 34812616 Free PMC article.
Exploiting ordered waters in molecular docking.
Huang N, Shoichet BK. Huang N, et al. Among authors: shoichet bk. J Med Chem. 2008 Aug 28;51(16):4862-5. doi: 10.1021/jm8006239. Epub 2008 Aug 5. J Med Chem. 2008. PMID: 18680357 Free PMC article.
Automated docking screens: a feasibility study.
Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y. Irwin JJ, et al. Among authors: shoichet bk. J Med Chem. 2009 Sep 24;52(18):5712-20. doi: 10.1021/jm9006966. J Med Chem. 2009. PMID: 19719084 Free PMC article.
Structure-based discovery of A2A adenosine receptor ligands.
Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA. Carlsson J, et al. Among authors: shoichet bk. J Med Chem. 2010 May 13;53(9):3748-55. doi: 10.1021/jm100240h. J Med Chem. 2010. PMID: 20405927 Free PMC article.
Colloid formation by drugs in simulated intestinal fluid.
Doak AK, Wille H, Prusiner SB, Shoichet BK. Doak AK, et al. Among authors: shoichet bk. J Med Chem. 2010 May 27;53(10):4259-65. doi: 10.1021/jm100254w. J Med Chem. 2010. PMID: 20426472 Free PMC article.
287 results