Published June 29, 2022
| Version v1
Dataset
Open
MD simulation trajectory of SDG/POPE bilayer and related files
Authors/Creators
- 1. Doctoral Programme in Drug Research (DPDR), University of Helsinki
Description
Raw simulation trajectory data of pre-equiblirated SDG/POPE bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.6 with Lipid17 forcefield 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 POPE and 6400 water molecules. Temperature 310 K, pressure 1 bar.