Complete Virion Simulated: All-Atom Model of an MS2 Bacteriophage with Native Genome

For the first time, a complete all-atom molecular dynamics (MD) model of a virus, bacteriophage MS2, in its entirety, including a protein outer shell, native genomic RNA with necessary divalent ions, and surrounding explicit aqueous solution with ions at physiological concentration, was built. The m...

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Veröffentlicht in:	Journal of chemical theory and computation 2023-11, Vol.19 (21), p.7924-7933
Hauptverfasser:	Farafonov, Vladimir S., Stich, Michael, Nerukh, Dmitry A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solutions Biomolecular Systems Molecular dynamics Phages
Online-Zugang:	Volltext
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