Evolution of Stronger SARS-CoV-2 Variants as Revealed Through the Lens of Molecular Dynamics Simulations.

doi:10.1007/s10930-022-10065-6

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Article

Evolution of Stronger SARS-CoV-2 Variants as Revealed Through the Lens of Molecular Dynamics Simulations.

The protein journal - 1 Oct 2022

Wozney Alec J, Smith Macey A, Abdrabbo Mobeen, Birch Cole M, Cicigoi Kelsey A, Dolan Connor C, Gerzema Audrey E L, Hansen Abby, Henseler Ethan J, LaBerge Ben, Leavens Caterra M, Le Christine N, Lindquist Allison C, Ludwig Rikaela K, O'Reilly Maggie G, Reynolds Jacob H, Sherman Brandon A, Sillman Hunter W, Smith Michael A, Snortheim Marissa J, Svaren Levi M, Vanderpas Emily C, Voon Aidan, Wackett Miles J, Weiss Moriah M, Hati Sanchita, Bhattacharyya Sudeep

Abstract excerpt

Using molecular dynamics simulations, the protein-protein interactions of the receptor-binding domain of the wild-type and seven variants of the severe acute respiratory syndrome coronavirus 2 spike protein and the peptidase domain of human angiotensin-converting enzyme 2 were investigated. These variants are alpha, beta, gamma, delta, eta, kappa, and omicron. Using 100 ns simulation data, the residue interaction...

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Identifiers

PMID: 35913554
DOI: 10.1007/s10930-022-10065-6
PMCID: PMC9340756

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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