PMID: 15244628Jul 13, 2004Paper

Transition path sampling study of flip-flop transitions in model lipid bilayer membranes

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Jordi Martí, Félix S Csajka

Abstract

The microscopic dynamics of lipids in biomembranes is of special relevance in the study of chemical reactions produced in cells. The mechanism of the exchange of a model lipid molecule between both sides of a flexible bilayer membrane or flip-flop in an aqueous environment has been studied by computer simulation using the recently developed transition path sampling technique, since flip-flop transitions are infrequent events of the lipid dynamics. In addition, structural changes in the membrane have been investigated at ambient conditions and for increasing temperature. Our results highlight the cooperative effort of the whole system in order to allow a lipid molecule to cross the bottleneck in configuration space associated with the transition state of the flip-flop event. Within the time interval of the transition, all molecules of the system significantly change the frequency of their molecular motions.

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Citations

Dec 3, 2008·The Journal of Chemical Physics·Maria Mills, Ioan Andricioaei
Jul 11, 2006·Prostaglandins, Leukotrienes, and Essential Fatty Acids·Frits Kamp, James A Hamilton
Dec 14, 2016·Accounts of Chemical Research·John S Allhusen, John C Conboy
Oct 24, 2007·The Journal of Chemical Physics·Xuebing FuYi Qin Gao
Aug 19, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Fernando A EscobedoJuan C Araque
Apr 4, 2021·International Journal of Molecular Sciences·Jordi Martí, Huixia Lu
Jan 16, 2010·The Journal of Physical Chemistry. B·Timothy C AnglinJohn C Conboy
Aug 10, 2010·Chemical Reviews·Andrey A GurtovenkoIlpo Vattulainen
Nov 11, 2020·The Journal of Physical Chemistry Letters·Huixia Lu, Jordi Martí
Nov 9, 2007·The Journal of Physical Chemistry. B·Andrey A Gurtovenko, Ilpo Vattulainen

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