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Article

Modelling conformational state dynamics and its role on infection for SARS-CoV-2 Spike protein variants.

PLoS computational biology - 1 Aug 2021

Teruel Natália, Mailhot Olivier, Najmanovich Rafael J

Abstract excerpt

The SARS-CoV-2 Spike protein needs to be in an open-state conformation to interact with ACE2 to initiate viral entry. We utilise coarse-grained normal mode analysis to model the dynamics of Spike and calculate transition probabilities between states for 17081 variants including experimentally observed variants. Our results correctly model an increase in open-state occupancy for the more infectious D614G via an...

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Identifiers

PMID: 34351895
DOI: 10.1371/journal.pcbi.1009286
PMCID: PMC8384204

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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