1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine
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| Lipid | 1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine (POPC) Pubchem CID:5497103 |
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| Forcefield | GROMOS53a6 |
| Code | Gromacs |
| Authors | A Kukol |
| Licence |  |
| Curator | Andreas Kukol |
| Abstract | Lipid parameters of Kukol, JCTC 5 (2009), 615: United atom (UA) lipids
Experimental areas per lipid are reproduced to within 3% for DPPC
Parameters were copied directly from the supplementary information available from 10.1021/ct8003468 (ct8003468_si_001.zip) Version 2 has parameter files for Gromacs 4.x, obtained from Andreas Kukol. Original README: The .pdb files contain a snapshot of the lipid bilayer after 40 ns of MD simulation.
All details about the MD simulation conditions and topologies are in the manuscript.
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References
A Kukol, Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins, J Chem Theory Comput
5
(2009),
615–626, doi: 10.1021/ct8003468, [no pubmed id]
Primary Experimental
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| Version | 1 | ||
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