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Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs.
McCorvy JD, Butler KV, Kelly B, Rechsteiner K, Karpiak J, Betz RM, Kormos BL, Shoichet BK, Dror RO, Jin J, Roth BL. McCorvy JD, et al. Among authors: shoichet bk. Nat Chem Biol. 2018 Feb;14(2):126-134. doi: 10.1038/nchembio.2527. Epub 2017 Dec 11. Nat Chem Biol. 2018. PMID: 29227473 Free PMC article.
Virtual screening of chemical libraries.
Shoichet BK. Shoichet BK. Nature. 2004 Dec 16;432(7019):862-5. doi: 10.1038/nature03197. Nature. 2004. PMID: 15602552 Free PMC article. Review.
High-throughput assays for promiscuous inhibitors.
Feng BY, Shelat A, Doman TN, Guy RK, Shoichet BK. Feng BY, et al. Among authors: shoichet bk. Nat Chem Biol. 2005 Aug;1(3):146-8. doi: 10.1038/nchembio718. Epub 2005 Jul 3. Nat Chem Biol. 2005. PMID: 16408018
Relating protein pharmacology by ligand chemistry.
Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. Keiser MJ, et al. Among authors: shoichet bk. Nat Biotechnol. 2007 Feb;25(2):197-206. doi: 10.1038/nbt1284. Nat Biotechnol. 2007. PMID: 17287757
Predicting absolute ligand binding free energies to a simple model site.
Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA. Mobley DL, et al. Among authors: shoichet bk. J Mol Biol. 2007 Aug 24;371(4):1118-34. doi: 10.1016/j.jmb.2007.06.002. Epub 2007 Jun 8. J Mol Biol. 2007. PMID: 17599350 Free PMC article.
Structure-based activity prediction for an enzyme of unknown function.
Hermann JC, Marti-Arbona R, Fedorov AA, Fedorov E, Almo SC, Shoichet BK, Raushel FM. Hermann JC, et al. Among authors: shoichet bk. Nature. 2007 Aug 16;448(7155):775-9. doi: 10.1038/nature05981. Epub 2007 Jul 1. Nature. 2007. PMID: 17603473 Free PMC article.
Structure-based discovery of beta2-adrenergic receptor ligands.
Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK. Kolb P, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6843-8. doi: 10.1073/pnas.0812657106. Epub 2009 Apr 2. Proc Natl Acad Sci U S A. 2009. PMID: 19342484 Free PMC article.
Quantifying biogenic bias in screening libraries.
Hert J, Irwin JJ, Laggner C, Keiser MJ, Shoichet BK. Hert J, et al. Among authors: shoichet bk. Nat Chem Biol. 2009 Jul;5(7):479-83. doi: 10.1038/nchembio.180. Epub 2009 May 31. Nat Chem Biol. 2009. PMID: 19483698 Free PMC article.
Molecular docking screens using comparative models of proteins.
Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A. Fan H, et al. Among authors: shoichet bk. J Chem Inf Model. 2009 Nov;49(11):2512-27. doi: 10.1021/ci9003706. J Chem Inf Model. 2009. PMID: 19845314 Free PMC article.
276 results