Molecular dynamics simulation of POPC at low hydration near the liquid crystal phase transition

被引：13

作者：

Ceccarelli, M

Marchi, M

机构：

[1] Ecole Normale Super Lyon, CECAM, F-69364 Lyon, France

[2] Univ Cagliari, INFM, Dipartimento Sci Fis, I-09124 Cagliari, Italy

[3] CEA, Ctr Etudes, DSV, DBCM,Sect Biophys Proteines & Membranes,DBCM, F-91191 Gif Sur Yvette, France

来源：

BIOCHIMIE | 1998年 / 80卷 / 5-6期

关键词：

POPC; molecular dynamics; liquid crystal phase transition;

D O I：

10.1016/S0300-9084(00)80009-7

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We report results of a preliminary molecular dynamics study of a 1-palmitoyl-2-oleoylphosphatidyicholine (POPC) bilayer at low hydration (5% in weight). Our results suggest a gel phase structure where the oleic chain is bent recalling the crystalline oleic acid structure. We have also found a discontinuity in the volume/temperature curve which might be related to the gel to liquid crystal phase transition in POPC ((C) Societe francaise de biochimie et biologie moleculaire / Elsevier, Paris).

引用

页码：415 / 419

页数：5

共 31 条

[21] A very fast molecular dynamics method to simulate biomolecular systems with realistic electrostatic interactions [J].