Research

SCMF – Single Chain Mean Field Theory

Basics
The Single Chain Mean Field (SCMF) theory was originally proposed by Ben-Shaul, Szleifer and Gelbart [zotpressInText item=”{QBZPNNQN},{RXXJ3MHB}”] to describe micellization of block copolymers. This method has further been developed to describe the structure of phospholipid membranes at the molecular level[zotpressInText item=”{4KUHSU4T},{QE3GFT2S}”]. SCMF is one of the theoretical tools exploited in the Molecular Simulation group in Tarragona.
 The SCMF theory describes a […]

Read More

Cyclodextrins and their applications

Cyclodextrins can complexate with polymers and thus can be grafted to surfaces. Grafted layers of sliding polymers are constructed from polymers threading through ring-like molecules grafted to a surface. Such grafting mode allows the polymer chains to freely slide inside the ring-like molecules, thus providing additional degree of freedom for grafted polymers.
A cyclic molecule of a cyclodextrin consist […]

Read More

Coarse-grained models of phospholipid membranes within the single chain mean field theory

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 […]

Read More