Molecular dynamics simulations explore effects of electric field orientations on spike proteins of SARS-CoV-2 virions.

ABSTRACT: Emergence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its current worldwide spread have caused a pandemic of acute respiratory disease COVID-19. The virus can result in mild to severe, and even to fatal respiratory illness in humans, threatening human health and public safety. The spike (S) protein on the surface of viral membrane is responsible for viral entry into host cells. The discovery of methods to inactivate the entry of SARS-CoV-2 through disruption of the S protein binding to its cognate receptor on the host cell is an active research area. To explore other prevention strategies against the quick spread of the virus and its mutants, non-equilibrium molecular dynamics simulations have been employed to explore the possibility of manipulating the structur

SUBMITTER: Kuang Z 

PROVIDER: S-EPMC9334739 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature