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

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Lipid	1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) Pubchem CID:26197
Forcefield	GROMOS53a6
Code	Gromacs
Authors	A Kukol
Licence
Curator	Andreas Kukol
Abstract	Lipid parameters of Kukol, JCTC 5 (2009), 615: United atom (UA) lipids were constructed from the GROMOS 53a6 atom types. Experimental areas per lipid are reproduced to within 3% for DPPC without application of surface tension, and 1.5% for POPC. Parameters were copied directly from the supplementary information available from 10.1021/ct8003468 (ct8003468_si_001.zip) Original README: The .pdb files contain a snapshot of the lipid bilayer after 40 ns of MD simulation. The .itp files contain the molecular topology for the GROMOS96 53a6 force field. They are suitable for use with the GROMACS MD simulation software. All details about the MD simulation conditions and topologies are in the manuscript.

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

Versions

Version	1
Topology	dmpc_53a6.itp 20dc90f227cee7a3dc14cc8accbacca658ca4935
Parameters
PDB structure
Bilayer structure	dmpc128_40ns.pdb 8bfeec4eba4a75b1a2bd970b5425fbdda5c15064
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