SCMF – Single Chain Mean Field Theory

Berardo Mario Manzi — Sun, 26 Oct 2014 22:08:00 +0000

Basics The Single Chain Mean Field (SCMF) theory was originally proposed by Ben-Shaul, Szleifer and Gelbart to describe micellization of block copolymers. This method has further been developed to describe the structure of phospholipid membranes at the molecular level. SCMF is one of the theoretical tools exploited in the Molecular Simulation group in Tarragona. The SCMF theory describes a single molecule surrounded by the mean fields. It takes explicitly into account the structure of an individual molecule at a coarse-grained level similar to coarse-grained MC or MD simulations. However, as distinct from simulations, the interactions of the molecule with the environment are described

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ESR1-T: Computer simulations of equilibrium structures of lipid membranes and nano-objects

Berardo Mario Manzi — Thu, 05 Dec 2013 14:01:39 +0000

Theoretical physics, theory in soft matter, computer simulations Contact Berardo Manzi Objectives The aim of this project is to understand the interactions of lipid membranes with nano-objects including functional biomimetic polymers, polymeric micelles, carbon nanotubes and polymer therapeutic complexes/conjugates to enable the intelligent design of novel materials with improved bilayer modifying properties. A full range of theoretical methods will be employed to improve our understanding of interactions between phospholipid bilayers and nano-objects. An ambitious goal will be the implementation of a multi-scale computational approach that will allow the use of the same coarse grained model in different techniques. Development of the Single

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Posts by Berardo Mario Manzi published at ITN SNAL - Marie Curie Initial Training Network

SCMF – Single Chain Mean Field Theory

ESR1-T: Computer simulations of equilibrium structures of lipid membranes and nano-objects