Membranes


N.B.: If you use the following files in your work, please cite the primary source. (see Description field)

Name:Campylobacter jejuni
Lipids: CJA1, DPPE, POPG, TOCL
Forcefield: martini 2.0
Software:Gromacs 5.1
Files: LIM26_Campylobacter_jejuni.gro, LIM26_Campylobacter_jejuni.txt
Parameters and other files
Parameters
martini_v2.2P.itp
http://dx.doi.org/10.5281/zenodo.34488
Simulation files
Number:271 lipids
Temperature:310 °K
Equilibration:2000 ns
Tags:bacteria, gram negative, Campylobacter jejuni
Proteins:
Analysis: Membrane computed properties
Description:

The structure file of this record is not from the original study of Ma et al. but has been built to reproduce their results and as a demonstration of the handling of lipids with several residues by LIMONADA.
The Zenodo link is not related to this membrane.
Parameters have been estimated from the published paper.
CDL2 and CJEJ have been renamed TOCL and CJA1.

References: Ma2017 Journal of Chemical Theory and Computation, 13. Modeling Diversity in Structures of Bacterial Outer Membrane Lipids
Composition:
Upper leaflet 1
69 CJA1 (Ma2017) ( 90.8%)
7 DPPE (Marrink2007) ( 9.2%)
Lower leaflet 1
137 DPPE (Marrink2007) ( 70.3%)
39 POPG (Wassenaar2015) ( 20.0%)
19 TOCL (Dahlberg2007) ( 9.7%)
Curator: Jean-Marc Crowet on Feb. 16, 2021

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