Loonen, Stefan; Bauer, Marianne; Šoštarić, Nikolina (2024): Data underlying the publication: Phosphorylation-induced structural dynamics of SARS-CoV-2 nucleocapsid protein. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/f2eeef37-4e13-4462-bf89-c3afb709c098.v1

Version 2 - 2025-03-28 (latest)

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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 , Marianne Bauer , Nikolina Šoštarić

Supplementary data for the "Phosphorylation-induced structural dynamics of SARS-CoV-2 nucleocapsid protein" manuscript. In this work we performed 12 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 low precision trajectories (1 ns and 10 ns between each frame). The full precision trajectories are available on request.

History

• 2024-11-08 first online, 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