|Biological and biomimetic membranes consist of bilayers of lipids and other amphiphilic molecules. The self-assembly of these bilayers can be studied by computer simulations such as Molecular Dynamics  or Dissipative Particle Dynamics . The simulation of small membrane patches in the nanometer regime provides estimates for their bending rigidity, which determines the membrane behavior in the micrometer regime.  The bending rigidity of multi-component membranes is a nonmonotonic function of membrane composition.   Molecular modelling and computer simulations have also provided new insight into the process of membrane fusion.  |
Effect of tension and curvature on the chemical potential of lipids in lipid aggregates.
Phys. Chem. Chem. Phys. 15, 876-881 (2013)
Fusion-Relevant Changes in Lipid Shape of Hydrated Cholesterol Hemisuccinate Induced by pH and Counterion Species.
J. Phys. Chem. B 114, 14941-14946 (2010).
Solvent-Exposed Tails as Prestalk Transition States for Membrane Fusion at Low Hydration.
JACS 132, 6710-6718 (2010).
The fusion of membranes and vesicles: Pathway and energy barriers from Dissipative Particle Dynamics.
The fusion of membranes and vesicles ... - Supporting Information.
Biophys. J. 96, 2658-2675 (2009).
Tension-induced vesicle fusion: Pathways and pore dynamics.
Soft Matter 4, 1208-1214 (2008).
Pathway of Membrane Fusion with Two Tension-Dependent Energy Barriers
Pathway of Membrane Fusion ... - Appendices.
Phys. Rev. Lett. 98, 218101 (2007).
Visualizing soft matter: Mesoscopic simulations of membranes, vesicles, and nanoparticles.
Biophys. Rev. Lett. 2, 33 - 55 (2007).
Improved dissipative particle dynamics simulations of lipid bilayers.
Improved dissipative particle dynamics simulations ... - Color figures.
J. Chem. Phys. 126, 015101 (2007).
Two-component membrane material properties and domain formation from dissipative particle dynamics.
Two-component membrane material properties ... - Color figures.
J. Chem. Phys. 125, 114710 (2006).
The computational route from bilayer membranes to vesicles fusion.
J. Phys.: Condens. Matter 18, S1191 - S1219 (2006).
Dissipative Particle Dynamics Simulations of Polymersomes.
J. Phys. Chem. B 109, 17708 - 17714 (2005).
Wetting, budding, and fusion - morphological transitions of soft surfaces.
J. Phys.: Condens. Matter 17, S2885 - S2902 (2005).
Effect of chain length and asymmetry on material properties of bilayer membranes.
J. Chem. Phys. 122, 1 (2005).
Tension-induced fusion of bilayer membranes and vesicles.
Tension-induced fusion ... - Supplementary Information.
Nature Materials 4, 225-228, (2005).
Shape fluctuations and elastic properties of two-component bilayer membranes.
Europhys. Lett. 69, 650-656 (2005).
Biomimetic Membrane Modelling: Pictures from the twilight zone
Nature Materials 3, 589-591, (2004).
Lateral and transverse diffusion in two-component bilayer membranes.
Eur. Phys. J. E 11, 21-28 (2003).
Equilibrium structure and lateral stress distribution of amphiphilic bilayers
from dissipative particle dynamics simulations.
J. Chem. Phys. 117, 5048-5061 (2002).
Self-organization of membranes - From molecules to microstructures.
Europhysics News, May/June, 76-77 (1999).
Mobilitiy and elasticity of self-assembled membranes.
Phys. Rev. Lett. 82, 221-224 (1999).
Computer simulations of bilayer membranes: Self-assembly and interfacial tension.
J. Chem. Phys. 108, 7397-7409 (1998).