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Dataset: Polystyrene and SARS-CoV-2 S protein MD simulations - MaRDI portal

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Dataset: Polystyrene and SARS-CoV-2 S protein MD simulations (Q6697575)

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Dataset published at Zenodo repository.
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English
Dataset: Polystyrene and SARS-CoV-2 S protein MD simulations
Dataset published at Zenodo repository.

    Statements

    instance of
    data set
    0 references
    description
    Coordinates (input files and equilibrated structures) corresponding tothe MD simulations reported in Sahihi and Faraudo, J. Chem. Inf. Model. 2022, 62, 16, 38143824 https://doi.org/10.1021/acs.jcim.2c00562. Please cite this publication and the dataset in any use of the data. The coordinate files in pdb format include fully glycosylated structures of the S1 subunit of SARS-CoV-2 spike protein (up and down confirmations) and a polystyrene slab.
    0 references
    publication date
    11 October 2022
    0 references
    author
    Jordi Faraudo
    0 references
    Mehdi Sahihi
    0 references
    dataset version identifier
    v1.0
    0 references

    Identifiers

    Zenodo ID
    7185138
    0 references
     
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