1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol)

Slipids/AMBER Gromacs by XYZ

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Lipid 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (DOPG)
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. (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
DOPG.itp ac4d423c914fb190b46c9fd7cfecf155cff97742
Parameters
forcefield.ff.zip c2e43f6f7cec2677fe111e486976acd285885c9e
PDB structure
Bilayer structure
DOPG_293K.gro f8d7307f3c298fb34b45fbf0504d07a2b01e764b
WebCite:http://people.su.se/~jjm/Stockholm_Lipids/Downloads.html WebCiteID: 6C4Kl1XCW
DOPG_303K.gro 2bc1a2f5bc8f4da852864a81c17f0a622a67d84b
DOPG_323K.gro 87895a6d480099cc2c282333f18d2b0be20ea4e1
DOPG_333K.gro 531b981886bbdd3308c8352908c05c3b4fd8f0a0