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Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein.
Casalino L, Gaieb Z, Goldsmith JA, Hjorth CK, Dommer AC, Harbison AM, Fogarty CA, Barros EP, Taylor BC, McLellan JS, Fadda E, Amaro RE. Casalino L, et al. Among authors: fadda e. bioRxiv [Preprint]. 2020 Sep 4:2020.06.11.146522. doi: 10.1101/2020.06.11.146522. bioRxiv. 2020. Update in: ACS Cent Sci. 2020 Oct 28;6(10):1722-1734. doi: 10.1021/acscentsci.0c01056 PMID: 32577644 Free PMC article. Updated. Preprint.
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome.
Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Among authors: fadda e. bioRxiv [Preprint]. 2020 Oct 7:2020.06.27.175430. doi: 10.1101/2020.06.27.175430. bioRxiv. 2020. Update in: Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0 PMID: 32637963 Free PMC article. Updated. Preprint.
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein.
Casalino L, Gaieb Z, Goldsmith JA, Hjorth CK, Dommer AC, Harbison AM, Fogarty CA, Barros EP, Taylor BC, McLellan JS, Fadda E, Amaro RE. Casalino L, et al. Among authors: fadda e. ACS Cent Sci. 2020 Oct 28;6(10):1722-1734. doi: 10.1021/acscentsci.0c01056. Epub 2020 Sep 23. ACS Cent Sci. 2020. PMID: 33140034 Free PMC article.
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Thomson EC, Rosen LE, Shepherd JG, Spreafico R, da Silva Filipe A, Wojcechowskyj JA, Davis C, Piccoli L, Pascall DJ, Dillen J, Lytras S, Czudnochowski N, Shah R, Meury M, Jesudason N, De Marco A, Li K, Bassi J, O'Toole A, Pinto D, Colquhoun RM, Culap K, Jackson B, Zatta F, Rambaut A, Jaconi S, Sreenu VB, Nix J, Zhang I, Jarrett RF, Glass WG, Beltramello M, Nomikou K, Pizzuto M, Tong L, Cameroni E, Croll TI, Johnson N, Di Iulio J, Wickenhagen A, Ceschi A, Harbison AM, Mair D, Ferrari P, Smollett K, Sallusto F, Carmichael S, Garzoni C, Nichols J, Galli M, Hughes J, Riva A, Ho A, Schiuma M, Semple MG, Openshaw PJM, Fadda E, Baillie JK, Chodera JD; ISARIC4C Investigators; COVID-19 Genomics UK (COG-UK) Consortium; Rihn SJ, Lycett SJ, Virgin HW, Telenti A, Corti D, Robertson DL, Snell G. Thomson EC, et al. Among authors: fadda e. Cell. 2021 Mar 4;184(5):1171-1187.e20. doi: 10.1016/j.cell.2021.01.037. Epub 2021 Jan 28. Cell. 2021. PMID: 33621484 Free PMC article.
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.
Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Among authors: fadda e. Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0. Epub 2021 May 24. Nat Chem. 2021. PMID: 34031561 Free PMC article.
119 results