Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study

Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study

The SARS-CoV-2 Omicron variants show different behavior compared to the previous variants, especially with respect to the Delta variant, which promotes a lower morbidity despite being much more contagious. In this perspective, we performed molecular dynamics (MD) simulations of the different spike R...

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Bibliographic Details
Main Authors: Aria Gheeraert, Vincent Leroux, Dominique Mias-Lucquin, Yasaman Karami, Laurent Vuillon, Isaure Chauvot de Beauchêne, Marie-Dominique Devignes, Ivan Rivalta, Bernard Maigret, Laurent Chaloin
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Biomolecules
Subjects:
SARS-CoV-2
RBD-hACE2 binding
molecular dynamics simulations
variant evolution
per-residue interaction
Online Access:https://www.mdpi.com/2218-273X/15/4/541
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