The water molecules orientation around the dipalmitoylphosphatidylcholine head group: A molecular dynamics study

G.A. Yeghiazaryan, A.H. Poghosyan and A.A. Shahinyan

Physica A: Statistical Mechanics and its Applications, 2006, vol. 362, issue 1, 197-203

Abstract: We have performed 3ns MD simulation of phospholipid bilayer–water system in liquid crystalline state, consisting of 128 saturated dipalmitoylphosphatidylcholine (DPPC) and 3655 water molecules, thus constituting ≈40% by weight, which corresponds to a fully hydrated lipid bilayer. It is shown that at average the hydrogen atoms of water are oriented towards the phosphorus atoms and the negatively charged oxygen atoms towards the nitrogen atoms. The electric potential and the charge density of water molecules along the bilayer normal are determined. It is stated that in DPPC bilayers both lipid protrusions and water ordering take place.

Keywords: Phospholipid bilayers; MD simulation; Hydration forces (search for similar items in EconPapers)
Date: 2006
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0378437105009568
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:362:y:2006:i:1:p:197-203

DOI: 10.1016/j.physa.2005.09.023

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().