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Prediction and validation of enzyme and transporter off-targets for metformin.
Yee SW, Lin L, Merski M, Keiser MJ, Gupta A, Zhang Y, Chien HC, Shoichet BK, Giacomini KM. Yee SW, et al. Among authors: shoichet bk. J Pharmacokinet Pharmacodyn. 2015 Oct;42(5):463-75. doi: 10.1007/s10928-015-9436-y. Epub 2015 Sep 3. J Pharmacokinet Pharmacodyn. 2015. PMID: 26335661 Free PMC article.
A Molecular Basis for Innovation in Drug Excipients.
Irwin JJ, Pottel J, Zou L, Wen H, Zuk S, Zhang X, Sterling T, Shoichet BK, Lionberger R, Giacomini KM. Irwin JJ, et al. Among authors: shoichet bk. Clin Pharmacol Ther. 2017 Mar;101(3):320-323. doi: 10.1002/cpt.458. Epub 2016 Sep 28. Clin Pharmacol Ther. 2017. PMID: 27557422 Review.
The Recognition of Unrelated Ligands by Identical Proteins.
Pottel J, Levit A, Korczynska M, Fischer M, Shoichet BK. Pottel J, et al. Among authors: shoichet bk. ACS Chem Biol. 2018 Sep 21;13(9):2522-2533. doi: 10.1021/acschembio.8b00443. Epub 2018 Aug 27. ACS Chem Biol. 2018. PMID: 30095890 Free PMC article.
Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives.
Zou L, Spanogiannopoulos P, Pieper LM, Chien HC, Cai W, Khuri N, Pottel J, Vora B, Ni Z, Tsakalozou E, Zhang W, Shoichet BK, Giacomini KM, Turnbaugh PJ. Zou L, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018. doi: 10.1073/pnas.1920483117. Epub 2020 Jun 22. Proc Natl Acad Sci U S A. 2020. PMID: 32571913 Free PMC article.
The activities of drug inactive ingredients on biological targets.
Pottel J, Armstrong D, Zou L, Fekete A, Huang XP, Torosyan H, Bednarczyk D, Whitebread S, Bhhatarai B, Liang G, Jin H, Ghaemi SN, Slocum S, Lukacs KV, Irwin JJ, Berg EL, Giacomini KM, Roth BL, Shoichet BK, Urban L. Pottel J, et al. Among authors: shoichet bk. Science. 2020 Jul 24;369(6502):403-413. doi: 10.1126/science.aaz9906. Science. 2020. PMID: 32703874 Free PMC article.
Leveraging Colloidal Aggregation for Drug-Rich Nanoparticle Formulations.
Ganesh AN, Logie J, McLaughlin CK, Barthel BL, Koch TH, Shoichet BK, Shoichet MS. Ganesh AN, et al. Among authors: shoichet bk, shoichet ms. Mol Pharm. 2017 Jun 5;14(6):1852-1860. doi: 10.1021/acs.molpharmaceut.6b01015. Epub 2017 May 19. Mol Pharm. 2017. PMID: 28502177 Free PMC article.
Protein docking and complementarity.
Shoichet BK, Kuntz ID. Shoichet BK, et al. J Mol Biol. 1991 Sep 5;221(1):327-46. doi: 10.1016/0022-2836(91)80222-g. J Mol Biol. 1991. PMID: 1920412
Probing molecular docking in a charged model binding site.
Brenk R, Vetter SW, Boyce SE, Goodin DB, Shoichet BK. Brenk R, et al. Among authors: shoichet bk. J Mol Biol. 2006 Apr 14;357(5):1449-70. doi: 10.1016/j.jmb.2006.01.034. Epub 2006 Feb 2. J Mol Biol. 2006. PMID: 16490206 Free PMC article.
288 results