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

Association of polymers and small solute molecules with phospholipid membranes

Theoretical physics, theory in soft matter, computer simulations

Objectives
In many cases the properties of cell membranes are modified through biopolymers and small solute molecules such as anesthetics or neurotransmitters. They can associate to membranes and significantly alter their structure, either thermodynamic state or induce reorganization in form of pores. The project aims to describe the fundamental […]

Read More

ESR2-T: Molecular simulation models of biomimetic polymers in lipid bilayers

Theoretical physics, theory in soft matter, computer simulations
Contact
Adrien Berthault
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 […]

Read More

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

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 […]

Read More