Cargando…
Allosteric Determinants of the SARS-CoV-2 Spike Protein Binding with Nanobodies: Examining Mechanisms of Mutational Escape and Sensitivity of the Omicron Variant
Structural and biochemical studies have recently revealed a range of rationally engineered nanobodies with efficient neutralizing capacity against the SARS-CoV-2 virus and resilience against mutational escape. In this study, we performed a comprehensive computational analysis of the SARS-CoV-2 spike...
Autor principal: | Verkhivker, Gennady |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8877688/ https://www.ncbi.nlm.nih.gov/pubmed/35216287 http://dx.doi.org/10.3390/ijms23042172 |
Ejemplares similares
-
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
por: Verkhivker, Gennady M., et al.
Publicado: (2021) -
Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations
por: Verkhivker, Gennady, et al.
Publicado: (2022) -
Structural and Computational Studies of the SARS-CoV-2 Spike Protein Binding Mechanisms with Nanobodies: From Structure and Dynamics to Avidity-Driven Nanobody Engineering
por: Verkhivker, Gennady
Publicado: (2022) -
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
por: Verkhivker, Gennady, et al.
Publicado: (2022) -
Integrating Conformational Dynamics and Perturbation-Based Network Modeling for Mutational Profiling of Binding and Allostery in the SARS-CoV-2 Spike Variant Complexes with Antibodies: Balancing Local and Global Determinants of Mutational Escape Mechanisms
por: Verkhivker, Gennady, et al.
Publicado: (2022)