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Reduced Molecular Dynamics Trajectory (P/N atoms) for Height Spectrum Analysis of a DOPC Lipid Bilayer

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Zenodo2026-03-05 更新2026-05-26 收录
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This dataset contains a reduced molecular dynamics trajectory used for the height spectrum analysis of a DOPC lipid bilayer. The trajectory contains phosphorus (P) and nitrogen (N) atoms only, which are sufficient to reconstruct the membrane midplane and compute the height fluctuation spectrum. Files included:- PN.dcd : reduced trajectory- PN.pdb : topology Analysis code used to compute the height spectrum is available at:height-spectrum-analysis Full trajectory (lipids + water) upon request, size is approximately 300 GB. Associated manuscript currently under review at Biophysical Journal.

本数据集包含用于二油酰磷脂酰胆碱(DOPC)脂质双层高度谱分析的精简分子动力学轨迹。 该轨迹仅包含磷(P)与氮(N)原子,足以重建膜中平面并计算高度涨落谱。 包含的文件如下: - PN.dcd:精简轨迹文件 - PN.pdb:拓扑文件 用于计算高度谱的分析代码可于height-spectrum-analysis处获取。 完整轨迹(包含脂质与水)可按需提供,总大小约为300 GB。 相关研究论文目前已投稿至《生物物理杂志》(Biophysical Journal)并处于审稿阶段。

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Zenodo
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2026-03-05
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