Molecular dynamics of DSB in nucleosome

These files contain the coordinate files (.gro) and compact trajectory files (.xtc) from the GROMACS runs of the nucleosome models O (experimental 1kx5), M1-M4 (model O with double strand breaks at various positions). Trajectories are compacted from the .trr files, by excluding water molecules and i...

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Bibliographische Detailangaben
Hauptverfasser: Cleri, Fabrizio, Landuzzi, Fabio, Blossey, Ralf
Format: Dataset
Sprache:eng
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Zusammenfassung:These files contain the coordinate files (.gro) and compact trajectory files (.xtc) from the GROMACS runs of the nucleosome models O (experimental 1kx5), M1-M4 (model O with double strand breaks at various positions). Trajectories are compacted from the .trr files, by excluding water molecules and ions. Frames are stored each 40 ps for ~1 microsecond trajectories (~25,000 frames per .xtc file, ~2 Gb each).PLOS submitted manuscript "Mechanical evolution of DNA double strand breaks in the nucleosome", by F. Cleri, F. Landuzzi and R. Blossey
DOI:10.6084/m9.figshare.5840706