MD simulation trajectory of POPE/SDG/CHOL bilayer and related files
<p>Simulation trajectory pre-equiblirated POPE/SDG/CHOL bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.7 with Lipid17 forcefield and TIP3P water model. The trajectory is 0-1000 ns, and we have disregarded the first 100 ns in our analysis.</p> <p>The system in the trajectory consists of 74 POPE, 12 SDG, 42 CHOL and 6400 water molecules. Temperature 310 K, pressure 1 bar.</p> <p>Publication: https://doi.org/10.1016/j.bbamem.2022.183961<br> </p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
Dataset details
- Repository
- zenodo
- Published
- July 11, 2022
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.6823086
Scored with release 0.9.0
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