Communications Biology (Nov 2022)

SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact

  • Yui Tik Pang,
  • Atanu Acharya,
  • Diane L. Lynch,
  • Anna Pavlova,
  • James C. Gumbart

DOI
https://doi.org/10.1038/s42003-022-04138-6
Journal volume & issue
Vol. 5, no. 1
pp. 1 – 11

Abstract

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Molecular dynamics simulations and enhanced sampling methods reveal the role of glycans and the energetics of glycan-mediated conformational switches in the receptor binding domains of the SARS-CoV-2 trimeric spike glycoprotein.