Polyunsaturated 1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine (18:0/22:6) | SDPC lipid bilayer, 303K, CHARMM36m-WYF forcefield, NAMD 3.0.2, 2* 500 ns

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Mahmoud Moqadam, Nathalie Reuter
DOI: 10.5281/zenodo.18384812
Cited by: 0

Abstract

1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine (SDPC) (18:0/22:6) lipid bilayer. 200 lipid molecules (100 lipids per leaflet) and no ions. Lipid for a total water content of 50 wt% >>> Hydration: 46 Temperature: 303.15 System was prepared using CHARMM-GUI. CHARMM36m-WYF forcefield was used. Simulation was performed with NAMD 3.0.2. timestep: 2.0 fs 500 ns production after 150 ns equilibration dcd saving freq: 10000 2 replicates

Fields of Study & Subjects

Lipid Membrane Structure and Behavior Lipid metabolism and biosynthesis Protein Structure and Dynamics

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
27 January 2026
Document type
Dataset