1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol

GROMOS-CKP Gromacs by XYZ

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Lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG)
Pubchem CID:9547107
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

POPG 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
POPG-D_GROMOS-CKP.itp 1dc476d49db5db1efc873cece12469ca9355e2d5
POPG-L_GROMOS-CKP.itp 7e90b426cf743b83d010a0f77feba830cc033d53
Parameters
PDB structure
Bilayer structure
md-POPG_200ns.gro 34f7601348031d40a44743e444a9bc3077e02282