Lipid A (E. coli)
GROMOS-CKP
Gromacs by XYZ
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| Lipid |
Lipid A (E. coli) (Lipid A)
Pubchem CID:9877306 |
| Forcefield |
GROMOS-CKP |
| Code |
Gromacs |
| Authors |
Piggot TJ, Holdbrook DA, Khalid S |
| Licence |
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| Curator |
Tom Piggot |
| Abstract |
GROMOS E. coli Lipid A parameters. These parameters can be used with the GROMOS 53A6 protein force field without any modification to the parameters. They can also be combined with the GROMOS-CKP phospholipid 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.
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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
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2
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| Bilayer structure |
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| Version |
1
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| Topology |
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| PDB structure |
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| Bilayer structure |
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