1',3'-bis[1-palmitoyl,2-oleoyl-sn-glycero-3-phospho]-sn-glycerol

GROMOS-CKP Gromacs by XYZ

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Lipid 1',3'-bis[1-palmitoyl,2-oleoyl-sn-glycero-3-phospho]-sn-glycerol (POPO)
Forcefield GROMOS-CKP
Code Gromacs
Authors Piggot TJ, Holdbrook DA, Khalid S
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Tom Piggot
Abstract

POPO Cardiolipin GROMOS-CKP lipid parameters. These lipid parameters can be used with the GROMOS 53A6 and GROMOS 54A7 protein force fields without any modifications to the parameters.


If you use these parameters please read and cite:


Electroporation of the E. coli and S. aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes. Thomas J. Piggot, Daniel A. Holdbrook, and Syma Khalid. The Journal of Physical Chemistry B 2011 115 (45), 13381-13388.


References

Piggot TJ, Holdbrook DA, Khalid S, Electroporation of the E. coli and S. aureus membranes: molecular dynamics simulations of complex bacterial membranes., J Phys Chem B 115 (2011), 13381-8, doi: 10.1021/jp207013v, pubmed:21970408 [pubmed] [hubmed]
Primary Experimental

Versions

Version 1
Topology
POPO_GROMOS-CKP.itp 1ef7d9c875d1c661b14b8f5aee61489aa2561cbe
Parameters
PDB structure
Bilayer structure
md-POPO_300ns.gro e036813fe04b39382330b08b57e54bd1ef3e7060