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Atomistic Simulations and In Silico Mutational Profiling of Protein Stability and Binding in the SARS-CoV-2 Spike Protein Complexes with Nanobodies: Molecular Determinants of Mutational Escape Mechanisms

[Image: see text] Structure-functional studies have recently revealed a spectrum of diverse high-affinity nanobodies with efficient neutralizing capacity against SARS-CoV-2 virus and resilience against mutational escape. In this study, we combine atomistic simulations with the ensemble-based mutatio...

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Detalles Bibliográficos
Autores principales:	Verkhivker, Gennady M., Agajanian, Steve, Oztas, Deniz Yasar, Gupta, Grace
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515575/ https://www.ncbi.nlm.nih.gov/pubmed/34660995 http://dx.doi.org/10.1021/acsomega.1c03558

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