Concerted regulation of NPC2 binding to endosomal/lysosomal membranes by bis(monoacylglycero)phosphate and sphingomyelin

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Date

2017-10-23, 2017-10-23

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dataset

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Zenodo

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Description

All necessary input files and analysis scripts to set up and run simulations are included. 000README files within each directory contain a detailed explanation of the contents. For the unbiased simulations, the trajectories sampled every 10 ns are also included. The reweighting and other analysis scripts can be found within the relevant directories. DOPG2LBPA.tar.gz includes an archive with instructions and examples for converting a bilayer containing DOPG lipids generated by charmm-gui to LBPA lipids.

Link to original dataset

https://doi.org/10.5281/zenodo.4575306

Keyword (yso)

Keyword

metadynamics, molecular dynamcis, NPC2, LBPA, BMP, protein-lipid interactions, lysosome, endosome, cholesterol, lysosome, bis(monooleoylglycero)phosphate, lysobisphosphatidic acid, Niemann–Pick

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