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

CHARMM36 Gromacs by XYZ

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Lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE)
Pubchem CID:5282290
Forcefield CHARMM36
Code Gromacs
Authors Klauda, Jeffery B and Venable, Richard M and Freites, J Alfredo and O'Connor, Joseph W and Tobias, Douglas J and Mondragon-Ramirez, Carlos and Vorobyov, Igor and MacKerell, Jr, Alexander D and Pastor, Richard W
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Rongliang Wu
Abstract

156 POPE lipids equilibrated for 40 ns


surface per lipid 0.572 nm^2


 

References

[no doi], pubmed:20496934 [pubmed] [hubmed]
Primary Experimental

Klauda, Jeffery B and Venable, Richard M and Freites, J Alfredo and O'Connor, Joseph W and Tobias, Douglas J and Mondragon-Ramirez, Carlos and Vorobyov, Igor and MacKerell, Jr, Alexander D and Pastor, Richard W, Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types, J Phys Chem B 114 (2010), 7830-7843, doi: 10.1021/jp101759q, pubmed:20496934 [pubmed] [hubmed]
Primary Experimental

[no doi], [no pubmed id]
Primary Experimental

Versions

Version 1
Topology
topol.top 21887f82f23cd9e1b6bdea5a3a05bbe306b29ede
Parameters
charmm_npt.mdp 8dc4e39a260a9a5dc572ac21459d13d5add70fc1
PDB structure
confout.gro da7525163941857bcf7c38337d0d968a8e4a273c
Bilayer structure