Structural behavior of monomer of SARS-CoV-2 spike protein during initial stage of adsorption on graphene.

ABSTRACT: Spike glycoprotein of the SARS-CoV-2 virus and its structure play a crucial role in the infections of cells containing angiotensin-converting enzyme 2 (ACE2) as well as in the interactions of this virus with surfaces. Protection against viruses and often even their deactivation is one of the great varieties of graphene applications. The structural changes of the non-glycosylated monomer of the spike glycoprotein trimer (denoted as S-protein in this work) triggered by its adsorption onto graphene at the initial stage are investigated by means of atomistic molecular dynamics simulations. The adsorption of the S-protein happens readily during the first 10 ns. The shape of the S-protein becomes more prolate during the adsorption, but this trend, albeit less pronounced, is observed also for the

SUBMITTER: Benkova Z 

PROVIDER: S-EPMC8405511 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature