遇见数据集

Medium membranes crowded with proteins at different temperatures

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Zenodo2020-07-30 更新2026-05-25 收录
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Simulation data for crowded coarse-grained (Martini) membranes with 9 proteins per system. Nomenclature follows that in the paper (CITATION TO BE ADDED), where also all simulation details are found. Simulations are performed at 4 temperatures (300, 315, 330, and 345 K), and there are a total of 900 lipids in the systems. The topology and index files are common for all simulations. The simulation parameters follow DOI:10.5281/zenodo.846428, and the required topologies can also be obtained from that upload. Smaller and larger simulations of the same system are uploaded to DOI:10.5281/zenodo.3604282 and DOI:10.5281/zenodo.3604293 .

本数据集为每体系含9个蛋白质的拥挤粗粒度(Martini)膜模拟数据。体系命名规则遵循待补充引用文献中的规范,该文献中亦包含所有模拟细节信息。本次模拟设置4个温度梯度(300、315、330及345 K),所有体系总脂质数均为900。所有模拟共用拓扑文件与索引文件。模拟参数遵循DOI:10.5281/zenodo.846428 中的规范,所需拓扑文件亦可从该存档中获取。同一体系的小规模与大规模模拟数据已分别上传至DOI:10.5281/zenodo.3604282 与DOI:10.5281/zenodo.3604293。

提供机构:
Zenodo
创建时间:
2020-01-10
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