MD simulation trajectory of SDG/SDPE bilayer and related files

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dc.contributor.affiliationDoctoral Programme in Drug Research (DPDR), University of Helsinki-Suvi Heinonen
dc.contributor.authorSuvi Heinonen
dc.date.accessioned2025-04-29T14:02:50Z
dc.date.issued2022-06-29
dc.date.issued2022-06-29
dc.descriptionRaw simulation trajectory data of pre-equiblirated SDG/SDPE bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.6 with Lipid17 force field and TIP3P water model. The trajectory is 0-2100 ns, and we have disregarded the first 100 ns in our analysis. The system in the trajectory consists of 12 SDG, 116 SDPE and 6400 water molecules. Temperature 310 K, pressure 1 bar.
dc.identifierhttps://doi.org/10.5281/zenodo.6778175
dc.identifier.urihttps://datakatalogi.helsinki.fi/handle/123456789/5401
dc.rights.licensecc-by-4.0
dc.subjectDAG
dc.subjectSDG
dc.subjectSDPE
dc.titleMD simulation trajectory of SDG/SDPE bilayer and related files
dc.typedataset

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