Simulations of the spike: molecular dynamics and SARS-CoV-2

Conrado Pedebos; Syma Khalid

doi:10.1038/s41579-022-00699-9

Simulations of the spike: molecular dynamics and SARS-CoV-2

Nat Rev Microbiol. 2022 Apr;20(4):192. doi: 10.1038/s41579-022-00699-9.

Authors

Conrado Pedebos¹, Syma Khalid²

Affiliations

¹ Department of Biochemistry, University of Oxford, Oxford, UK. conrado.pedebos@bioch.ox.ac.uk.
² Department of Biochemistry, University of Oxford, Oxford, UK. syma.khalid@bioch.ox.ac.uk.

Abstract

This month’s Under the Lens discusses a few of the growing number of recent molecular simulation studies that have made substantial contributions towards our mechanistic understanding of the spike protein of SARS-CoV-2.

MeSH terms

COVID-19* / virology
Humans
Molecular Dynamics Simulation
Protein Binding
SARS-CoV-2* / metabolism
Spike Glycoprotein, Coronavirus* / chemistry
Spike Glycoprotein, Coronavirus* / metabolism

Substances

Spike Glycoprotein, Coronavirus
spike protein, SARS-CoV-2