Conformational and Stability Analysis of SARS-CoV-2 Spike Protein Variants by Molecular Simulation

Conformational and Stability Analysis of SARS-CoV-2 Spike Protein Variants by Molecular Simulation

We performed a comprehensive structural analysis of the conformational space of several spike (S) protein variants using molecular dynamics (MD) simulations. Specifically, we examined four well-known variants (Delta, BA.1, XBB.1.5, and JN.1) alongside the wild-type (WT) form of SARS-CoV-2. The confo...

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Bibliographic Details
Main Authors: Gustavo E. Olivos-Ramirez, Luis F. Cofas-Vargas, Tobias Madl, Adolfo B. Poma
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Pathogens
Subjects:
molecular dynamics
conformational space
native contact map
probability states
collective variables
protein stability
Online Access:https://www.mdpi.com/2076-0817/14/3/274
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