S. Pogodin, N. K. H. Slater and V. A. Baulin
ACS Nano, 6(2), 1308-1313 (2012)
Under dehydration conditions, amphipathic late embryogenesis abundant proteins fold spontaneously from a random conformation into α-helical structures, and this transition is promoted by the presence of membranes. To gain insight into the thermodynamics of membrane association, we model the resulting α-helical structures […]
Cell membranes represent a serious protective barrier for external molecules, proteins, nanoparticles and drugs. This barrier is quite efficient in protecting the interior of the cells. However, large nanoscale objects, single-walled carbon nanotubes (SWNTs) have been found inside the cells both in direct and indirect biological experiments. Such experiments suggest that carbon nanotubes can efficiently […]
S. Pogodin and V.A. Baulin
Current Nanoscience, 7 (5), 721-726 (2011)
Certain membrane proteins, peptides, nanoparticles and nanotubes have rigid structure and fixed shape. They are often viewed as spheres and cylinders with certain surface properties. Single Chain Mean Field theory is used to model the equilibrium insertion of nanoscale spheres and rods into the phospholipid bilayer. […]
A. Gezae Daful, V.A. Baulin, J. Bonet i Avalos and A.D. Mackie
J. Phys. Chem. B, 115, 3434–3443 (2011)
A single chain mean field theory is used to quantitatively describe the micellization process of the nonionic polyethylene oxide alkyl ether, CnEm class of surfactants at 25 °C. An explicit but simple microscopic model with only three […]
S. Pogodin and V.A. Baulin
Soft Matter, 6, 2216 – 2226 (2010)
The single chain mean field theory is used to simulate the equilibrium structure of phospholipid membranes at the molecular level. Three levels of coarse-graining of DMPC phospholipid surfactants are present: the detailed 44-beads double tails model, the 10-beads double tails model and the minimal 3-beads […]
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