Simulations of membrane bilayer in a water box containing 80% DMPC and 20% sterol (ergosterol precursors) and code to obtain order parameter and trans-gauche isomerisation
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https://zenodo.org/record/14962935
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资源简介：
This data set contains simulations of different precursors of ergosterol, used on the following biorxiv paper.
Israel Juarez-Contreras, Laura J.S. Lopes, Jamie Holt, Lorena Yu-Liao, Katherine O’Shea, Jose Ruiz-Ruiz, Alexander Sodt, Itay Budin, Dissection of ergosterol metabolism reveals a pathway optimized for membrane phase separation, doi: https://doi.org/10.1101/2025.01.05.631358
The sterols present in these simulations are: ergosterol, zymosterol (erg6∆), ergosta-5,7,22,24(28)-trienol (erg4∆), fecosterol (erg2∆), episterol (erg3∆), ergosta-5,7,24(28)-trienol (erg5∆).
The codes used to produce the results presented in the paper are also present.
创建时间：
2025-03-07
