Research output per year
Research output per year
Description
Simulation trajectory and related files for POPC bilayer with 30mol% of pazePC in deprotonated form used in "Acyl chain disorder and azelaoyl orientation in lipid membranes containing oxidised lipids" by T. M. Ferreira, et al., to be submitted.
The simulation with deprotonated pazePC from the same publication available at http://dx.doi.org/10.5281/zenodo.44622
90 POPC, 38 pazePC, 7250 water and 38 potassium molecules. Simulation time 120ns.
Force field for POPC is based on Berger model and force field for pazePC is modified from H. Khandelia and O. G. Mouritsen, Biophysical Journal, 2009, 96(7), 2734 – 2743, http://dx.doi.org/10.1016/j.bpj.2009.01.007.
The simulation with deprotonated pazePC from the same publication available at http://dx.doi.org/10.5281/zenodo.44622
90 POPC, 38 pazePC, 7250 water and 38 potassium molecules. Simulation time 120ns.
Force field for POPC is based on Berger model and force field for pazePC is modified from H. Khandelia and O. G. Mouritsen, Biophysical Journal, 2009, 96(7), 2734 – 2743, http://dx.doi.org/10.1016/j.bpj.2009.01.007.
| Date made available | 12 Jan 2016 |
|---|---|
| Publisher | Zenodo |
Dataset Licences
- CC0-1.0
Research output
- 1 Article
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Acyl Chain Disorder and Azelaoyl Orientation in Lipid Membranes Containing Oxidized Lipids
Ferreira, T. M., Sood, R., Bärenwald, R., Carlström, G., Topgaard, D., Saalwächter, K., Kinnunen, P. K. J. & Ollila, O. H. S., 28 Jun 2016, In: Langmuir. 32, 25, p. 6524-6533 10 p.Research output: Contribution to journal › Article › Scientific › peer-review
21 Citations (Scopus)
Datasets
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MD simulation trajectory and related files for POPC bilayer with 30 mol% of deprotonated pazePC (Berger, Gromacs 4.5.)
Ollila, S. (Creator) & Khandelia, H. (Creator), Zenodo, 16 Jan 2016
DOI: 10.5281/zenodo.44622
Dataset