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Accurate de novo design of membrane-traversing macrocycles.
Bhardwaj G, O'Connor J, Rettie S, Huang YH, Ramelot TA, Mulligan VK, Alpkilic GG, Palmer J, Bera AK, Bick MJ, Di Piazza M, Li X, Hosseinzadeh P, Craven TW, Tejero R, Lauko A, Choi R, Glynn C, Dong L, Griffin R, van Voorhis WC, Rodriguez J, Stewart L, Montelione GT, Craik D, Baker D. Bhardwaj G, et al. Cell. 2022 Sep 15;185(19):3520-3532.e26. doi: 10.1016/j.cell.2022.07.019. Epub 2022 Aug 29. Cell. 2022. PMID: 36041435 Free PMC article.
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1.
Mulligan VK, Workman S, Sun T, Rettie S, Li X, Worrall LJ, Craven TW, King DT, Hosseinzadeh P, Watkins AM, Renfrew PD, Guffy S, Labonte JW, Moretti R, Bonneau R, Strynadka NCJ, Baker D. Mulligan VK, et al. Proc Natl Acad Sci U S A. 2021 Mar 23;118(12):e2012800118. doi: 10.1073/pnas.2012800118. Proc Natl Acad Sci U S A. 2021. PMID: 33723038 Free PMC article.
Comprehensive computational design of ordered peptide macrocycles.
Hosseinzadeh P, Bhardwaj G, Mulligan VK, Shortridge MD, Craven TW, Pardo-Avila F, Rettie SA, Kim DE, Silva DA, Ibrahim YM, Webb IK, Cort JR, Adkins JN, Varani G, Baker D. Hosseinzadeh P, et al. Science. 2017 Dec 15;358(6369):1461-1466. doi: 10.1126/science.aap7577. Science. 2017. PMID: 29242347 Free PMC article.