0000000000015882
AUTHOR
Michael Schick
Field theoretic study of bilayer membrane fusion: I. Hemifusion mechanism
Self-consistent field theory is used to determine structural and energetic properties of metastable intermediates and unstable transition states involved in the standard stalk mechanism of bilayer membrane fusion. A microscopic model of flexible amphiphilic chains dissolved in hydrophilic solvent is employed to describe these self-assembled structures. We find that the barrier to formation of the initial stalk is much smaller than previously estimated by phenomenological theories. Therefore its creation it is not the rate limiting process. The barrier which is relevant is associated with the rather limited radial expansion of the stalk into a hemifusion diaphragm. It is strongly affected by…
Coarse-grained models and collective phenomena in membranes: Computer simulation of membrane fusion
We discuss the role coarse-grained models play in in- vestigating collective phenomena in bilayer membranes and place them in the context of alternative approaches. By reducing the de- grees of freedom and applying simple effective potentials, coarse- grained models can address the large time scales and length scales of collective phenomena in mem- branes. Although the mapping from a coarse-grained model onto chemi- cally realistic models is a challenge, such models provide a direct view on the phenomena that occur on the length scales of a few tens of nano- meters. Their relevance is exempli- ied by the study of fusion of model membranes. ' 2003 Wiley Periodicals,
Fusion of biological membranes
The process of membrane fusion has been examined by Monte Carlo simulation, and is found to be very different than the conventional picture. The differences in mechanism lead to several predictions, in particular that fusion is accompanied by transient leakage. This prediction has recently been verified. Self-consistent field theory is applied to examine the free energy barriers in the different scenarios.
Calculation of the Phase Behavior of Lipids
The self-assembly of monoacyl lipids in solution is studied employing a model in which the lipid's hydrocarbon tail is described within the Rotational Isomeric State framework and is attached to a simple hydrophilic head. Mean-field theory is employed, and the necessary partition function of a single lipid is obtained via a partial enumeration over a large sample of molecular conformations. The influence of the lipid architecture on the transition between the lamellar and inverted-hexagonal phases is calculated, and qualitative agreement with experiment is found.