MD simulation trajectory and related files for POPC bilayer with 30 mol% of deprotonated pazePC (Berger, Gromacs 4.5.)
<p>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., https://doi.org/10.1021/acs.langmuir.6b00788.</p> <p> </p> <p>90 POPC, 38 pazePC, 7250 water and 38 potassium molecules. Simulation time 120ns.</p> <p> </p> <p>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.</p> <p> </p> <p>If used, please cite approriate publications.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 8
- Access
- 16
- Reuse readiness
- 4
- Engagement
- 0
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