Viewing lipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Name	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Shorthand	POPE
Pubchem	5282290
CAS RN	26662-94-2

Associated packages

CHARMM36 Gromacs
POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Lipid	POPE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
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
Creation date	06 Mar 2012
156 POPE lipids equilibrated for 40 ns surface per lipid 0.572 nm^2 [read more]

GROMOS-CKP Gromacs
POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Lipid	POPE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Forcefield	GROMOS-CKP
Code	Gromacs
Authors	Piggot TJ, Holdbrook DA, Khalid S
Licence
Creation date	22 May 2012
POPE GROMOS-CKP lipid parameters. These lipid parameters can be used with the GROMOS 53A6 and GROMOS 54A7 protein force fields without any modifications to the parameters. If you use these parameters please read and cite: Electroporation of the E. coli and S. aureus Membranes: Molecular Dynamics Simulations of Complex [...] [read more]

GROMOS43A1-S3 Gromacs
POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Lipid	POPE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Forcefield	GROMOS43A1-S3
Code	Gromacs
Authors	Chiu SW, Pandit SA, Scott HL, Jakobsson E
Licence
Creation date	01 Jun 2012
A new GROMOS43a1-based force field (43A1-S3) for simulation of membranes with the Gromacs simulation package. The validity of the force fields is demonstrated by correct replication of X-ray form factors and NMR order parameters over a wide range of membrane compositions in semi-isotropic NTP [...] [read more]

Slipids/AMBER Gromacs
POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Lipid	POPE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Forcefield	Slipids/AMBER
Code	Gromacs
Authors	Jämbeck JP, Lyubartsev AP
Licence
Creation date	14 Jul 2012
An all-atomistic force field (FF) for saturated PC lipids coined Stockholm lipids (Slipids). All parameters have been developed in a consistent and physical sound way. All the partial atomic [...] [read more]

AMBER-GAFF Amber
POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine)

Lipid	POPE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Forcefield	AMBER-GAFF
Code	Amber
Authors	-
Licence
Creation date	09 Oct 2013
GAFFlipid parameter files for simulation of POPE using AMBER. Also included are PDB files of 72, 288 and 2x288 POPE bilayers. To unzip: tar -xvzf POPE.tgz [read more]