Article

Simulation of the omicron variant of SARS-CoV-2 shows broad antibody escape, weakened ACE2 binding, and modest increase in furin binding

2021-12-15

Abstract excerpt

The recent emergence of the omicron variant of the SARS-CoV-2 virus with large numbers of mutations has raised concern about a potential new surge in infections. Here we use molecular dynamics to study the biophysics of the interface of the omicron spike protein binding to (i) the ACE2 receptor protein, (ii) antibodies from all known binding regions, and (iii) the furin binding domain. Our simulations suggest that...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 2ace21bf-89a1-59b9-9215-294a4412f320
DOI: 10.1101/2021.12.14.472704

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Simulation of the omicron variant of SARS-CoV-2 shows broad antibody escape, weakened ACE2 binding, and modest increase in furin bindingDOI 10.1101/2021.12.14.472704Read

Molecular dynamics simulations of the delta and omicron SARS-CoV-2 spike – ACE2 complexes reveal distinct changes between both variantsSemantic proximity Read

Improved binding affinity of the Omicron’s spike protein with hACE2 receptor is the key factor behind its increased virulenceSemantic proximity Read

Assessment of Mutations on RBD in the Spike Protein of SARS-CoV-2 Alpha, Delta and Omicron VariantsSemantic proximity Read

SARS-COV-2 Omicron variant predicted to exhibit higher affinity to ACE-2 receptor and lower affinity to a large range of neutralizing antibodies, using a rapid computational platformSemantic proximity Read

Mutations on RBD of SARS-CoV-2 Omicron variant result in stronger binding to human ACE2 receptorSemantic proximity Read

Molecular insights into the binding interactions and energetics of the omicron spike variant with hACE2 and a neutralizing antibody.Semantic proximity Read

Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants.Semantic proximity Read

Mutations on RBD of SARS-CoV-2 Omicron variant result in stronger binding to human ACE2 receptor.Semantic proximity Read

Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain.Semantic proximity Read

Structural and computational insights into the SARS-CoV-2 Omicron RBD-ACE2 interactionSemantic proximity Read

Scanning the RBD-ACE2 molecular interactions in Omicron variantSemantic proximity Read

AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape.Semantic proximity Read