MD simulation trajectory of SDPE bilayer and related files

dc.contributor.affiliationDrug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, Finland-Suvi Heinonen
dc.contributor.authorSuvi Heinonen
dc.date.accessioned2025-04-29T14:02:39Z
dc.date.issued2022-08-04
dc.date.issued2022-08-04
dc.descriptionSimulation trajectory pre-equiblirated SDPE 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 SDPE and 6400 water molecules. Temperature 310 K, pressure 1 bar. Publication: https://doi.org/10.1016/j.bbamem.2022.183961
dc.identifierhttps://doi.org/10.5281/zenodo.7546297
dc.identifier.urihttps://datakatalogi.helsinki.fi/handle/123456789/5280
dc.rights.licensecc-by-4.0
dc.titleMD simulation trajectory of SDPE bilayer and related files
dc.typedataset
Zenodo


: