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

Name: 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
Creator: Zenodo
Published: 2026-01-29T14:11:05+08:00

Zenodo2026-02-25 更新2026-05-26 收录

数据链接：

https://zenodo.org/doi/10.5281/zenodo.18384812 数据链接链接失效反馈

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资源简介：

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

1-硬脂酰基-2-二十二碳六烯酰基-sn-甘油-3-磷酸胆碱（1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine，简称SDPC）(18:0/22:6) 脂质双层。体系包含200个脂质分子，每个脂质单层含100个脂质，无离子组分。体系总水含量为50 wt%，水合数为46。温度：303.15。体系通过CHARMM-GUI工具构建。采用CHARMM36m-WYF力场。模拟使用NAMD 3.0.2软件完成。时间步长：2.0 fs。经150 ns平衡模拟后，开展500 ns生产模拟。 dcd轨迹保存频率：10000。包含2组重复模拟。

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Zenodo

创建时间：

2026-01-29