Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory

The spike protein (S-protein) is a crucial part of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), with its many domains responsible for binding, fusion, and host cell entry. In this review we use the density functional theory (DFT) calculations to analyze the atomic-scale interact...

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Detalles Bibliográficos
Autores principales: Ching, Wai-Yim, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9953097/
https://www.ncbi.nlm.nih.gov/pubmed/36831053
http://dx.doi.org/10.3390/biomedicines11020517

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9953097/
https://www.ncbi.nlm.nih.gov/pubmed/36831053
http://dx.doi.org/10.3390/biomedicines11020517

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