Exploring the effects of N234 and N343 linked glycans to SARS CoV 2 spike protein pocket accessibility using Gaussian accelerated molecular dynamics simulations

Exploring the effects of N234 and N343 linked glycans to SARS CoV 2 spike protein pocket accessibility using Gaussian accelerated molecular dynamics simulations

Abstract The N234 and N343-linked glycans of the SARS-CoV 2 spike protein are known to stabilize the up-conformation of its receptor-binding domains (RBDs), enabling human angiotensin enzyme 2 (hACE2) receptor binding. However, the effect of spike-hACE2 binding on these important glycans remains poo...

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Bibliographic Details
Main Authors: Ronny L. Cheng, James Peter L. Lim, Myrnel A. Fortuna, Donnifer V. Reyes, Earl Adrian D. R. Hans, Ricky B. Nellas
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Scientific Reports
Subjects:
COVID-19
SARS-CoV-2 spike protein
Gaussian accelerated molecular dynamics
Glycosylation
Biophysical analysis
Online Access:https://doi.org/10.1038/s41598-025-85153-5
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https://doi.org/10.1038/s41598-025-85153-5

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