MD simulation trajectory of POPE bilayer and related files
| dc.contributor.affiliation | University of Helsinki-Suvi Heinonen | |
| dc.contributor.author | Suvi Heinonen | |
| dc.date.accessioned | 2025-04-29T13:59:38Z | |
| dc.date.issued | 2023-01-18 | |
| dc.date.issued | 2023-01-18 | |
| dc.description | Simulation trajectory pre-equiblirated POPE 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. The system in the trajectory consists of 128 POPE and 6400 water molecules. Temperature 310 K, pressure 1 bar. Publication: https://doi.org/10.1016/j.bbamem.2022.183961 | |
| dc.identifier | https://doi.org/10.5281/zenodo.6974075 | |
| dc.identifier.uri | https://datakatalogi.helsinki.fi/handle/123456789/4404 | |
| dc.rights.license | cc-by-4.0 | |
| dc.title | MD simulation trajectory of POPE bilayer and related files | |
| dc.type | dataset |