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DOI: 10.4121/f2eeef37-4e13-4462-bf89-c3afb709c098

Loonen, Stefan; van Steenis, Lina; Bauer, Marianne; Šoštarić, Nikolina (2025): Data underlying the publication: Phosphorylation changes SARS-CoV-2 nucleocapsid protein's structural dynamics and its interaction with RNA. Version 2. 4TU.ResearchData. dataset. https://doi.org/10.4121/f2eeef37-4e13-4462-bf89-c3afb709c098.v2

Version 1 - 2024-11-08

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Categories

• Physical Chemistry (incl. Structural)
• Microbiology
• Theoretical and Computational Chemistry
• Atomic, Molecular, Nuclear, Particle and Plasma Physics
• Physical Sciences
• Biological Sciences
• Chemical Sciences

Keywords

Molecular dynamics simulations Nucleocapsid protein Phosphorylation Protein-Nucleic acid interactions SARS-CoV-2

Licence

CC0

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by Stefan Loonen , Lina van Steenis , Marianne Bauer , Nikolina Šoštarić

Supplementary data for the "Phosphorylation changes SARS-CoV-2 nucleocapsid protein's structural dynamics and its interaction with RNA" manuscript. In this work we performed 37 atomistic molecular dynamics simulations. The folders here contain for each simulation the initial configuration, the output of the energy minimization and equilibration procedure, and the PBC corrected and aligned skipped trajectories (10 ns between each frame). The full trajectories are available on request.

History

• 2024-11-08 first online

• 2025-03-28 published, posted

Publisher

4TU.ResearchData

Format

Bulk of the data are trajectories in .xtc, but files with the following extensions are also included: .mpd/.sh/.py/.edr/.gro./.log/.tpr/.cpt/.trr/.pdb/.top/.txt

Organizations

TU Delft, Faculty of Applied Sciences, Department of Bionanoscience