1,2-dimyristoyl-sn-glycero-3-phosphoglycerol

GROMOS-CKP Gromacs by XYZ

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Lipid 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG)
Pubchem CID:107767
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

DMPG 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
DMPG-D_GROMOS-CKP.itp 052f9c2ee80ac33ddbb39bb296e09b7be6052c4f
DMPG-L_GROMOS-CKP.itp 99afcbae0a259da065932068a1072b430783b074
Parameters
PDB structure
Bilayer structure
md-DMPG_400ns.gro 2feb427caea4b5fb80d7884bca26c57019c7e755