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MD simulation trajectory of POPE/CHOL bilayer and related files

<p>Simulation trajectory&nbsp;pre-equiblirated POPE/CHOL bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2021.2 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 86&nbsp;POPE,&nbsp;42 CHOL&nbsp;and 6400 water molecules. Temperature 310 K, pressure 1 bar.</p> <p>Publication:&nbsp;<a href="https://doi.org/10.1016/j.bbamem.2022.183961">https://doi.org/10.1016/j.bbamem.2022.183961</a></p>

ShareScore

24/100

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
0
Engagement
0