Molecular dynamics simulations of the complete satellite tobacco mosaic virus.
This work presents an all-atom molecular dynamics simulation of a complete virus, the satellite tobacco mosaic virus. Simulations with up to 1 million atoms for over 50 ns demonstrate the stability of the entire virion and of the RNA core alone, while the capsid without RNA exhibits a pronounced instability. Physical properties of the simulated virus particle including electrostatic potential, radial distribution of viral components, and patterns of correlated motion are analyzed, and the implications for the assembly and infection mechanism of the virus are discussed.
Center for Biophysics and Computational Biology, University of Illinois, Urbana-Champaign, Urbana, Illinois 61801, USA.
Lydia
L
Freddolino
Anton S
AS
Arkhipov
Steven B
SB
Larson
Alexander
A
McPherson
Klaus
K
Schulten
D002213:Capsid / Q000737:chemistry; D003198:Computer Simulation; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D012367:RNA, Viral / Q000737:chemistry*; D019400:Tobacco mosaic satellite virus / Q000737:chemistry / Q000235:genetics*; D014771:Virion / Q000737:chemistry; D019065:Virus Assembly
D012367:RNA, Viral