Article
Molecular dynamics simulations of the SARS-CoV-2 Spike protein and variants of concern: structural evidence for convergent adaptive evolution.
Journal of biomolecular structure & dynamics - 1 Jan 2000
Neto Daniel Ferreira de Lima, Fonseca Vagner, Jesus Ronaldo, Dutra Leonardo Hermes, Portela Layssa Miranda de Oliveria, Freitas Carla, Fillizola Eduardo, Soares Breno, Abreu André Luiz de, Twiari Sandeep, Azevedo Vasco, Goes-Neto Aristóteles, de Medeiros Arnaldo Correia, Lopes Norberto Peporine, Zanotto Paolo Marinho de Andrade, Kato Rodrigo Bentes
Abstract excerpt
The Spike protein's structure of the SARS-CoV-2 provides a unique opportunity to consider perturbations at the atomic level. We used the cryo-electron microscopy structure of the open conformation of the Spike protein to assess the impact of the mutations observed in the variants of concern at the molecular level. Molecular dynamics were subsequently performed with both the wt and the mutated forms to compare the...
Read the complete abstract on PubMedTopics
Share this publication in a Topic to start or enrich a Post.