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Page 1
Accurate de novo design of high-affinity protein binding macrocycles using deep learning.
Rettie SA, Juergens D, Adebomi V, Bueso YF, Zhao Q, Leveille AN, Liu A, Bera AK, Wilms JA, Üffing A, Kang A, Brackenbrough E, Lamb M, Gerben SR, Murray A, Levine PM, Schneider M, Vasireddy V, Ovchinnikov S, Weiergräber OH, Willbold D, Kritzer JA, Mougous JD, Baker D, DiMaio F, Bhardwaj G. Rettie SA, et al. bioRxiv [Preprint]. 2024 Nov 18:2024.11.18.622547. doi: 10.1101/2024.11.18.622547. bioRxiv. 2024. PMID: 39605685 Free PMC article. Preprint.
Cyclic peptide structure prediction and design using AlphaFold.
Rettie SA, Campbell KV, Bera AK, Kang A, Kozlov S, De La Cruz J, Adebomi V, Zhou G, DiMaio F, Ovchinnikov S, Bhardwaj G. Rettie SA, et al. bioRxiv [Preprint]. 2023 Feb 26:2023.02.25.529956. doi: 10.1101/2023.02.25.529956. bioRxiv. 2023. PMID: 36865323 Free PMC article. Preprint.
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. Among authors: rettie sa. Science. 2017 Dec 15;358(6369):1461-1466. doi: 10.1126/science.aap7577. Science. 2017. PMID: 29242347 Free PMC article.
Accurate de novo design of hyperstable constrained peptides.
Bhardwaj G, Mulligan VK, Bahl CD, Gilmore JM, Harvey PJ, Cheneval O, Buchko GW, Pulavarti SV, Kaas Q, Eletsky A, Huang PS, Johnsen WA, Greisen PJ, Rocklin GJ, Song Y, Linsky TW, Watkins A, Rettie SA, Xu X, Carter LP, Bonneau R, Olson JM, Coutsias E, Correnti CE, Szyperski T, Craik DJ, Baker D. Bhardwaj G, et al. Among authors: rettie sa. Nature. 2016 Oct 20;538(7625):329-335. doi: 10.1038/nature19791. Epub 2016 Sep 14. Nature. 2016. PMID: 27626386 Free PMC article.