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Molecular Dynamics trajectories of the human PDZ2 domain

Citation

Schneider, Markus (2022), Molecular Dynamics trajectories of the human PDZ2 domain, Dryad, Dataset, https://doi.org/10.5061/dryad.3r2280gf2

Abstract

Molecular Dynamics trajectories of the human PDZ2 domain. This dataset contains simulations of two systems (PDZ2 apo and PDZ2 bound to the RA-GEF-2 peptide) started from either a crystal or NMR structure.

Usage Notes

The .prmtop file is a text file as used by the AMBER software for molecular dynamics simulations and contains the topology of the molecular system. Any text editor should be able to read the file, though it is designed towards being used by the program.

The .nc file is a binary file format for trajectories created by the AMBER software.

Funding

Deutsche Forschungsgemeinschaft (DFG), Award: SFB1035/A10

Deutsche Forschungsgemeinschaft (DFG), Award: SFB749/C08