Dataset Open Access

Research data supporting: "A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields"

Capelli, Riccardo; Gardin, Andrea; Empereur-mot, Charly; Doni, Giovanni; Pavan, Giovanni Maria

This repository contains the data used in the paper of Capelli et al. "A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields", published on Journal of Physical Chemistry B (DOI: 0.1021/acs.jpcb.1c02503).

The archive traj_processed.tar.gz contains the trajectories converted in xyz format with the dimensions of the box.

The archive trajectories_xtc.tar.gz contains the raw trajectories (of the membranes without solvent) in gromacs xtc format with a .tpr binary file. 
 

Files (8.9 GB)
Name Size
traj_processed.tar.gz
md5:48ad90e865f48a7392eea5075be9411e 		850.1 MB Download
trajectories_xtc.tar.gz
md5:4b6a22936623a77ade02f58e09a1d501 		8.1 GB Download
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Publication date:
September 3, 2021
DOI:
10.5281/zenodo.4891864

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10.5281/zenodo.4891864

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Grants:
European Commission:
  • DYNAPOL - Modeling approaches toward bioinspired dynamic materials (818776)
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License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.5281/zenodo.4891864 Sep 3, 2021
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