1,2-dilauroyl-sn-glycero-3-phospho-(1'-rac-glycerol)

Slipids/AMBER Gromacs by XYZ

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Lipid 1,2-dilauroyl-sn-glycero-3-phospho-(1'-rac-glycerol) (DLPG)
Forcefield Slipids/AMBER
Code Gromacs
Authors Jämbeck JP, Lyubartsev AP
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Joakim Jämbeck
Abstract

See http://people.su.se/~jjm/Stockholm_Lipids/Home.html for for more details and structure files to download

References

Jämbeck JP, Lyubartsev AP, Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids., J Phys Chem B 116 (2012), 3164-79, doi: 10.1021/jp212503e, pubmed:22352995 [pubmed] [hubmed]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes, J. Chem. Theory Comput. 8 (20), 2938–2948, doi: 10.1021/ct300342n, [no pubmed id]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., Another Piece of the Membrane Puzzle: Extending Slipids Further, J. Chem. Theory Comput. (2012), doi: 10.1021/ct300777p, [no pubmed id]
Primary Experimental

Versions

Version 2
Topology
Parameters
forcefield.ff.zip 7a30a7aaa40b5dca0070efad5ad847c95d662b26
PDB structure
Bilayer structure
Version 1
Topology
DLPG.itp c0cf84628be2ce9a42eaa48c7127834cb0418eb9
Parameters
forcefield.ff.zip c2e43f6f7cec2677fe111e486976acd285885c9e
PDB structure
Bilayer structure
DLPG_293K.gro 60361a87cd8e5551b5a36b5547c6c1624160d082
WebCite:http://people.su.se/~jjm/Stockholm_Lipids/Downloads.html WebCiteID: 6C4JlpJLb
DLPG_303K.gro 1458e00be5bca75d746c6f3389ebf2bc11683c5e
DLPG_323K.gro 221f37d2f6e1a0ac427b10d31c741db1d848f606
DLPG_333K.gro 400cbf80afeb8ec2987b83432afbb83891052230