1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol

Slipids/AMBER Gromacs by XYZ

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Lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG)
Pubchem CID:9547107
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 (2012), 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. 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
POPG.itp 10640762f820e831e485b608a995e6aaabdee370
Parameters
forcefield.ff.zip c2e43f6f7cec2677fe111e486976acd285885c9e
PDB structure
Bilayer structure
POPG_293K.gro 2ae9452619c230ee379d80678564af40406c50af
WebCite:http://people.su.se/~jjm/Stockholm_Lipids/Downloads.html WebCiteID: 6C4LgP3Hk
POPG_303K.gro b0164efd05c86f39274d66b837588fa3410a92df
POPG_323K.gro 0a0cf742bc66b72dd61e3b4df249f1b4a1c0c5b4
POPG_333K.gro ef7f022ddd0b0c2de3af2469f9b8ee43b068669a