Large membranes with a single protein at different temperatures

Simulation data for coarse-grained (Martini) membranes containing a single protein. 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 7200 lipids (3600 per leaflet) 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 simulaions with a single protein and 800 lipids (400 per leaflet) are at 315 K are available at DOI:10.5281/zenodo.3572299 and at other temperatures at 10.5281/zenodo.3604448. Medium simulations with 3200 lipids (1600 per leaflet) are available at DOI:10.5281/zenodo.3604687

Related Organizations

Czech Academy of Sciences
Czech Republic
Institute of Organic Chemistry and Biochemistry
Czech Republic

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