Published August 4, 2022
| Version v2
Dataset
Open
MD simulation trajectory of SDPE bilayer and related files
Authors/Creators
- 1. Drug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, Finland
Description
Simulation 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