Molecular architecture and dynamics of SARS-CoV-2 envelope
Supplementary videos from the paper "Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling," authored by Weria Pezeshkian, Fabian Grünewald, Oleksandr Narykov, Senbao Lu, Valeria Arkhipova, Alexey Solodovnikov, Tsjerk A. Wassenaar, Siewert J. Marrink, and Dmitry Korkin, publised in Structre (Cell), 03 Mar 2023, doi: https://doi.org/10.1016/j.str.2023.02.006
First part of the video: "Envelope model M2 (containing full S trimer) in molecular composition C1 that was run for the first 1 μs (the agglomeration of M dimers into filament-like structures is still apparent during this shorter run. Lipid molecules are depicted in sapphire blue, E pentamers in ruby red, M dimers in silver, and S trimers in gold."
Second part of the video: "Comparing the outer and inner surfaces of the envelope model M1 (containing truncated S trimer) in molecular composition C1 during a 4-μs simulation run. In contrast to the outer surface of the envelope where M dimers can be viewed forming filament-like structures, the inner surface of the envelope shows tight packing of endoma domains of M dimers. Lipid molecules are depicted in sapphire blue, E pentamers in ruby red, M dimers in silver, and S trimers in gold."
And third part of the video: "A visualization of 13-μs coarse-grained
molecular dynamics trajectory of a flat bilayer system that includes 41 M dimers with randomly assigned initial positions in the bilayer. Lipids are colored red/magenta; proteins are colored green; carbohydrates are colored purple."