Coarse-Grained Molecular Simulations and Ensemble-Based Mutational Profiling of Protein Stability in the Different Functional Forms of the SARS-CoV-2 Spike Trimers: Balancing Stability and Adaptability in BA.1, BA.2 and BA.2.75 Variants

Coarse-Grained Molecular Simulations and Ensemble-Based Mutational Profiling of Protein Stability in the Different Functional Forms of the SARS-CoV-2 Spike Trimers: Balancing Stability and Adaptability in BA.1, BA.2 and BA.2.75 Variants

Evolutionary and functional studies have suggested that the emergence of Omicron variants can be determined by multiple fitness tradeoffs including immune escape, binding affinity, conformational plasticity, protein stability, and allosteric modulation. In this study, we embarked on a systematic com...

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Bibliographic Details
Main Authors: Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:International Journal of Molecular Sciences
Subjects:
SARS-CoV-2 spike protein
Omicron subvariants
ACE2 host receptor
molecular dynamics
protein stability
network analysis
Online Access:https://www.mdpi.com/1422-0067/24/7/6642

Internet

https://www.mdpi.com/1422-0067/24/7/6642

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