BioPhys – University of Helsinki
Published October 23, 2017 | Version v2
Dataset Open

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

Authors/Creators

  • 1. Department of Physics, P.O. Box 64, FI-00014 University of Helsinki, Finland
  • 2. Laboratory of Physics, Tampere University of Technology, FI-33101 Tampere, Finland
  • 3. Department of Anatomy, Faculty of Medicine, P.O. Box 63, FI-00014 University of Helsinki, Finland

Contributors

Data curator:

Researcher:

  • 1. Department of Physics, P.O. Box 64, FI-00014 University of Helsinki, Finland
  • 2. Laboratory of Physics, Tampere University of Technology, FI-33101 Tampere, Finland

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.

Files

Files (1.7 GB)

Name Size
md5:05ffa692224a66eb031450f4d718db12
6.3 MB Download
md5:c5caf4657dfdeb5f224be1f97941c14b
1.7 GB Download

Additional details

Related works

Has part
10.5281/zenodo.1034815 (DOI)

Funding

European Commission
CROWDED-PRO-LIPIDS - Computational Perspective to Dynamical Protein-Lipid Complexes under Crowded Conditions 290974