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Discovery of Protease-Activated Receptor 4 (PAR4)-Tethered Ligand Antagonists Using Ultralarge Virtual Screening.
Smith ST, Cassada JB, Von Bredow L, Erreger K, Webb EM, Trombley TA, Kalbfleisch JJ, Bender BJ, Zagol-Ikapitte I, Kramlinger VM, Bouchard JL, Mitchell SG, Tretbar M, Shoichet BK, Lindsley CW, Meiler J, Hamm HE. Smith ST, et al. Among authors: shoichet bk. ACS Pharmacol Transl Sci. 2024 Mar 21;7(4):1086-1100. doi: 10.1021/acsptsci.3c00378. eCollection 2024 Apr 12. ACS Pharmacol Transl Sci. 2024. PMID: 38633591
A practical guide to large-scale docking.
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Bender BJ, et al. Among authors: shoichet bk. Nat Protoc. 2021 Oct;16(10):4799-4832. doi: 10.1038/s41596-021-00597-z. Epub 2021 Sep 24. Nat Protoc. 2021. PMID: 34561691 Free PMC article. Review.
Structure, function and pharmacology of human itch GPCRs.
Cao C, Kang HJ, Singh I, Chen H, Zhang C, Ye W, Hayes BW, Liu J, Gumpper RH, Bender BJ, Slocum ST, Krumm BE, Lansu K, McCorvy JD, Kroeze WK, English JG, DiBerto JF, Olsen RHJ, Huang XP, Zhang S, Liu Y, Kim K, Karpiak J, Jan LY, Abraham SN, Jin J, Shoichet BK, Fay JF, Roth BL. Cao C, et al. Among authors: shoichet bk. Nature. 2021 Dec;600(7887):170-175. doi: 10.1038/s41586-021-04126-6. Epub 2021 Nov 17. Nature. 2021. PMID: 34789874 Free PMC article.
Publisher Correction: A practical guide to large-scale docking.
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Bender BJ, et al. Among authors: shoichet bk. Nat Protoc. 2022 Jan;17(1):177. doi: 10.1038/s41596-021-00650-x. Nat Protoc. 2022. PMID: 34887579 No abstract available.
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.
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.
273 results