Viewing lipid DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Name	1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Shorthand	DPPC
Pubchem	6139
CAS RN	63-89-8

Associated packages

GROMOS53a6 Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	GROMOS53a6
Code	Gromacs
Authors	A Kukol
Licence
Creation date	31 Aug 2009
Lipid parameters of Kukol, JCTC 5 (2009), 615: United atom (UA) lipids were constructed from the GROMOS 53a6 atom types. Experimental areas per lipid are reproduced to within 3% for DPPC without application of surface tension, and 1.5% for POPC. Parameters were copied directly from the supplementary information available from 10.1021/ct8003468 ([read more]

GROMOS43a1 Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	GROMOS43a1
Code	Gromacs
Authors	Tieleman DP
Licence
Creation date	11 Dec 2009
Parameters taken from lipid.itp found at: http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies DPPC bilayer self-assembled using CG then converted to atomistic by CG2AT. Atomistic bilayer equilibrated though 10 ns of MD. [read more]

GROMOS53a6 Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	GROMOS53a6
Code	Gromacs
Authors	David Poger, Alan E. Mark
Licence
Creation date	03 Aug 2010
Molecular dynamics simulations of fully hydrated pure bilayers of four widely studied phospholipids, using a recent revision of the GROMOS96 force field (53a6) are reported. It is shown that the force field reproduces the structure and the hydration of bilayers formed by each of the four lipids with high accuracy. The [read more]

Martini Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	Martini
Code	Gromacs
Authors	Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH
Licence
Creation date	26 Jan 2011
diC(16:0)-PC - DPPC - topology for MARTINI. The package includes a 128-DPPC bilayer patch. [read more]

OPLS Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	OPLS
Code	Gromacs
Authors	Jakob P. Ulmschneider and Martin B. Ulmschneider
Licence
Creation date	20 Apr 2012
OPLS-UA lipids consistent with the OPLS-AA force field. Please cite: J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813 [read more]

Slipids/AMBER Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	Slipids/AMBER
Code	Gromacs
Authors	Jämbeck JP, Lyubartsev AP
Licence
Creation date	02 May 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]

GROMOS43A1-S3 Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
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]

AMBER-GAFF Amber
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

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

Martini Gromacs
DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

Lipid	DPPC 1,2-dipalmitoyl-sn-glycero-3-phosphocholine
Forcefield	Martini
Code	Gromacs
Authors	Daily MD, Olsen BN, Schlesinger PH, Ory DS, Baker NA
Licence
Creation date	29 Oct 2014
Cholesterol trafficking, which is an essential function in mammalian cells, is intimately connected to molecular-scale interactions through cholesterol modulation of membrane structure and dynamics and interaction with membrane receptors. Since these effects of cholesterol occur on micro- to millisecond time scales, it is essential to develop [...] [read more]