MD simulation trajectory and related files for POPC bilayer with 30 mol% of deprotonated pazePC (Berger, Gromacs 4.5.)
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.
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 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.
If used, please cite approriate publications.
Show moreYear of publication
2016
Authors
Department of Neuroscience and Biomedical Engineering
Himanshu Khandelia - Creator
Samuli Ollila - Creator
University of Southern Denmark - Contributor
Zenodo - Publisher
Other information
Fields of science
Biochemistry, cell and molecular biology
Open access
Open
License
Creative Commons CC0 1.0 Universal (CC0 1.0) Public Domain Dedication