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Showing 1–2 of 2 results
Advanced filters: Author: Aoife M. Harbison Clear advanced filters

  • GlycoShape is an open-access web-based platform designed to supplement three-dimensional glycoprotein structures with missing structural information on glycans. To link them, the Re-Glyco algorithm evaluates the steric complementarity of glycans using their conformational ensemble with the protein surface.

    • Callum M. Ives
    • Ojas Singh
    • Elisa Fadda
    ResearchOpen Access
    Nature Methods
    Volume: 21, P: 2117-2127

  • Simulations of the SARS-CoV-2 proteome that include over 0.1 s of aggregate data are reported. Spike opening was observed, revealing cryptic epitopes that differ between variants, explaining differential interactions with antibodies and receptors that determine pathogenicity. The cryptic pockets described provide new targets for antivirals and a wealth of mechanistic insight.

    • Maxwell I. Zimmerman
    • Justin R. Porter
    • Gregory R. Bowman
    Research
    Nature Chemistry
    Volume: 13, P: 651-659