====== Phosphatidylethanolamines (PE) ======
###
For each phospholipid, its name, 4-letter code, composition of aliphatic chains (sn1/sn2), and parameter files are presented. In addition, the values for volume per lipid (VL), area per lipid (AL), and bilayer thickness (DHH) in a bilayer setting are given, together with experimental data (when available). These parameters were obtained under the General Amber Force Field (GAFF) terminology and general parameters.
###
----
==== DLPE ====
//1,2-dilauroyl-sn-glycero-3-phosphoethanolamine//
| {{ mm:parameters:lipids:dlpe.png?70 }} | Name | //1,2-dilauroyl-sn-glycero-3-phosphoethanolamine// |||
| ::: | 4-Letter code | DLPE |||
| ::: | sn1-sn2 | 12:0/12:0 |||
| ::: | parameters | {{ mm:parameters:lipids:dle_frcmod.zip | frcmod }} {{ mm:parameters:lipids:dle_prepc.zip | prepc }} || [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** ||||
| ::: | //Value// | //MD ± σ / Å// | //Experimental / Å// | //Reference// |
| ::: | //VL// | 854 ± 2 | 907, 863 | [[http://www.ncbi.nlm.nih.gov/pubmed/11063882|Nagle, 2000]] \\ [[http://www.ncbi.nlm.nih.gov/pubmed/3768325|McIntosh, 1986]] |
| ::: | //AL// | 40 ± 0.4 | 51.2, 41.0 | ::: |
| ::: | //DHH// | 40 ± 0.1 | 35.6, 33.0, 39.8 | ::: |
==== DMPE ====
//1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine//
| {{ mm:parameters:lipids:dmpe.png?70 }} | Name | //1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine// |||
| ::: | 4-Letter code | DMPE |||
| ::: | sn1-sn2 | 14:0/14:0 |||
| ::: | parameters | {{ mm:parameters:lipids:dme_frcmod.zip | frcmod }} {{ mm:parameters:lipids:dme_prepc.zip | prepc }} || [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** ||||
| ::: | //Value// | //MD ± σ / Å// |||
| ::: | //VL// | 961 ± 2 |||
| ::: | //AL// | 44 ± 0.7 |||
| ::: | //DHH// | 42 ± 0.1 |||
==== DPPE ====
//1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine//
| {{ mm:parameters:lipids:dppe.png?70 }} | Name | //1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine// |||
| ::: | 4-Letter code | DPPE |||
| ::: | sn1-sn2 | 16:0/16:0 |||
| ::: | parameters | {{ mm:parameters:lipids:dpe_frcmod.zip | frcmod }} {{ mm:parameters:lipids:dpe_prepc.zip | prepc }} || [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** ||||
| ::: | //Value// | //MD ± σ / Å// |||
| ::: | //VL// | 1066 ± 3 |||
| ::: | //AL// | 44 ± 0.5 |||
| ::: | //DHH// | 47 ± 0.3 |||
==== DSPE ====
//1,2-distearoyl-sn-glycero-3-phosphoethanolamine//
| {{ mm:parameters:lipids:dspe.png?65 }} | Name | //1,2-distearoyl-sn-glycero-3-phosphoethanolamine// |||
| ::: | 4-Letter code | DSPE |||
| ::: | sn1-sn2 | 18:0/18:0 |||
| ::: | parameters | {{ mm:parameters:lipids:dse_frcmod.zip | frcmod }} {{ mm:parameters:lipids:dse_prepc.zip | prepc }} || [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** ||||
| ::: | //Value// | //MD ± σ / Å// |||
| ::: | //VL// | 1162 ± 3 |||
| ::: | //AL// | 43 ± 0.3 |||
| ::: | //DHH// | 52 ± 0.2 |||
==== POPE ====
//1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine//
| {{ mm:parameters:lipids:pope.png?65 }} | Name | //1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine// |||
| ::: | 4-Letter code | POPE |||
| ::: | sn1-sn2 | 16:0/18:1(Δ9) |||
| ::: | parameters | {{ mm:parameters:lipids:poe_frcmod.zip | frcmod }} {{ mm:parameters:lipids:poe_prepc.zip | prepc }} || [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** ||||
| ::: | //Value// | //MD ± σ / Å// | //Experimental / Å// | //Reference// |
| ::: | //VL// | 1149 ± 3 | 1185 | [[http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1302872/|Rappolt, 2003]] |
| ::: | //AL// | 46 ± 0.6 | 61.0 | ::: |
| ::: | //DHH// | 48 ± 0.3 | 39.0 | ::: |
==== PLPE ====
//1-palmitoyl-2-linoleoyl-sn-glycero-phosphoethanolamine//
| {{ mm:parameters:lipids:plpe.png?65 }} | Name | //1-palmitoyl-2-linoleoyl-sn-glycero-phosphoethanolamine// ||
| ::: | 4-Letter code | PLPE ||
| ::: | sn1-sn2 | 16:0/18:2(Δ9,12) ||
| ::: | parameters | {{ mm:parameters:lipids:ple_frcmod.zip | frcmod }} {{ mm:parameters:lipids:ple_prepc.zip | prepc }} | [[#references | [Coimbra, 2013]]] |
| ::: | **Validation** |||
| ::: | //Value// | //MD ± σ / Å// ||
| ::: | //VL// | 1152 ± 2 ||
| ::: | //AL// | 48 ± 0.5 ||
| ::: | //DHH// | 46 ± 0.3 ||
===== References =====
###
Coimbra, J.T.S.; Sousa, S.F.; Fernandes, P.A.; Rangel, M.; Ramos, M.J.. [[http://www.tandfonline.com/doi/abs/10.1080/07391102.2012.750250?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%3dpubmed#.UfAXYY1wrt4 | Biomembrane simulations of 12 lipid types using the general amber force field in a tensionless
ensemble]] . //J. Biomol. Struct. Dyn.//, **2013**
###