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    Dataset: Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling

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    Creator/Author:
    Hunkler, Simon https://orcid.org/0000-0002-2476-2128 [Universität Konstanz]

    Berg, Andrej https://orcid.org/0000-0002-5232-1995 [Universität Konstanz]

    Buhl, Teresa [Universität Konstanz]

    Kukharenko, Oleksandra https://orcid.org/0000-0002-3285-1403 [Max Planck Institute for Polymer Research]

    Peter, Christine https://orcid.org/0000-0002-1471-5440 [Universität Konstanz]
    Contributors:
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    Title:
    Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
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    Description:
    (Abstract) Trajectories, structures and encodermap projections of the K48-linked tri-ubiquitin system
    (Technical Info) Minima_focused.tar.gz, boltzmann_weighted.tar.gz and uniform.tar.gz contain the coarse grained structures that were selected for back-mapping. Furthermore these archives contain the atomistic structures (solvated and energy minimized) that were generated by the back-mapping procedure, as well as the gromacs .tpr files that were used to run the BMBS simulations. Lastly these archives contain the encodermap projections of all BMBS trajectories.
    (Technical Info) The two archives in /CG_data (CG_data_part1.tar.gz and CG_data_part2.tar.gz) contain the CG trajectories, a CG structure and the encodermap projection of all CG trajectories.
    Keywords:
    ubiquitin
    polyubiquitin
    back-mapping based sampling
    coarse graining
    molecular dynamics simulations
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    Language:
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    Publishers:
    Universität Konstanz
    Production year:
    Subject areas:
    Chemistry
    Resource type:
    Dataset
    Data source:
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    Software used:
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    Data processing:
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    Publication year:
    Rights holders:
    Hunkler, Simon

    Peter, Christine
    Funding:
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    Name Storage Metadata Upload Action
    Status:
    Published
    Uploaded by:
    7df170d13f57e775c8af9e6eee02d383
    Created on:
    Archiving date:
    2022-12-08
    Archive size:
    17.8 GB
    Archive creator:
    67eb831a87973fb304fde899f902c1bc
    Archive checksum:
    e4ea3d737f392a356f2a60d1eff7294c (MD5)
    Embargo period:
    -