Breathing and tilting: mesoscale simulations illuminate influenza glycoprotein vulnerabilities.

ABSTRACT: Influenza virus has resurfaced recently from inactivity during the early stages of the COVID-19 pandemic, raising serious concerns about the nature and magnitude of future epidemics. The main antigenic targets of influenza virus are two surface glycoproteins, hemagglutinin (HA) and neuraminidase (NA). Whereas the structural and dynamical properties of both glycoproteins have been studied previously, the understanding of their plasticity in the whole-virion context is fragmented. Here, we investigate the dynamics of influenza glycoproteins in a crowded protein environment through mesoscale all-atom molecular dynamics simulations of two evolutionary-linked glycosylated influenza A whole-virion models. Our simulations reveal and kinetically characterize three main molecular motions of influen

SUBMITTER: Casalino L 

PROVIDER: S-EPMC9387122 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature