The conformational plasticity of structurally unrelated lipid transport proteins correlates with their mode of action

  1. Sriraksha Srinivasan 1
  2. Andrea Di Luca 1
  3. Daniel, Alvarez 12
  4. John Peter, Arun T 1
  5. Gehin, Charlotte 3
  6. Lone, Museer A. 45
  7. Hornemann, Thorsten 45
  8. D'Angelo, Giovanni 3
  9. Stefano Vanni 1
  1. 1 University of Fribourg
    info

    University of Fribourg

    Friburgo, Suiza

    ROR https://ror.org/022fs9h90

  2. 2 Universidad de Oviedo
    info

    Universidad de Oviedo

    Oviedo, España

    ROR https://ror.org/006gksa02

  3. 3 École Polytechnique Fédérale de Lausanne
    info

    École Polytechnique Fédérale de Lausanne

    Lausana, Suiza

  4. 4 University of Zurich
    info

    University of Zurich

    Zúrich, Suiza

    ROR https://ror.org/02crff812

  5. 5 University Hospital of Zurich
    info

    University Hospital of Zurich

    Zúrich, Suiza

    ROR https://ror.org/01462r250

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Éditeur: Zenodo

Année de publication: 2024

Type: Dataset

CC BY 4.0

DOI: 10.5281/ZENODO.12728271 lock_openAccès ouvert editor

Résumé

Supporting DATA files for "Conformational plasticity of structurally unrelated lipid transport proteins correlates with their mode of action". zenodo_simulation_starting_files_and_result_pdbs.zip contains input files for atomistic and coarse-grained MD simulations, membrane binding interface results from coarse-grained simulations, and apo-like and holo-like conformations of lipid transfer domains arising from clustering of atomistic simulations zenodo_data_and_codes.zip contains the raw data and/or scripts used for the analysis of the figures of the paper as well as a README file explaining the contents. The figure caption in the manuscript indicates the folder name that contains data relevant to that particular figure.  The trajectories have not been uploaded here, in case you are interested, please ask the corresponding author (stefano.vanni@unifr.ch).