Bridging molecular simulation models and elastic theories for amphiphilic membranes

J. Chem. Phys., 149, 014902 (2018)
Adrien Berthault, Marco Werner, Vladimir A. Baulin
The Single Chain Mean Field theory is used to link coarse-grained models of amphiphilic molecules with analytical models for membrane elasticity, where phenomenological parameters are deduced from explicit molecular models and force fields. We estimate the elastic constants based on the free energy of […]

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Training in Dresden

An idea not yet presented is as ineffective as no idea.
As almost all the ESRs were reaching the mid term of their Phd projects, they were required to present the ideas that they have learnt and results they have obtained after finishing the half time of their project. All ESRs presented briefly the research, which […]

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Training in Frankfurt

Full of new ideas after the Strasbourg event, most of the ESRs moved towards the Goethe University in Frankfurt to learn some detailed ideas from the in vitro, in vivo and ex-vivo research. This workshop aimed to give an overview of clinical research, which directly helps in the improvement of human health and welfare. Not […]

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Training course in Strasbourg

As the year 2015 was coming to its end, SNAL ESRs gathered again in Strasbourg to get their last dose of new and contemporary ideas in the field of Lipid Membrane Research. The aim of this training course was to expose ESRs working from the different aspects of same research field, namely synthesis, theory and […]

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Workshop in Salou

The 4th workshop on biomaterials and their interactions with biological and model membranes was held in Salou (October 19th — 21th). Following up to the previous three workshops in 2011, 2013 and 2014, this meeting mainly focused on the interactions of synthetic polymers, nanoparticles, surfactants, proteins, small biomolecules with biological and model phospholipid membranes. Participants […]

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Summer School in Roccalumera

With the sound of waves breaking on the sand, a new generation of scientists was learning, questioning, and interacting with their peers. Such a social experience is always fruitful because it helps people to understand each other and create unique moments which will be remembered.
The summer school in Roccalumera (Sicily, Italy) aimed to bring together […]

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Meeting in Manchester 8th-11th April 2015

8th-11th April 2015 – School of Physics and Astronomy, University of Manchester, UK

It has now been six months since ESRs started their PhD, giving them a more accurate overview of their topic, its limits and its possible extensions. This meeting which was attended by most of the ITN SNAL Network and was organized by Jian […]

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Informal ESR meeting of ITN SNAL network 6/7 Novembre 2014

6-7 November 2014 – Roda de Barà, Tarragona, Spain
The second article of the Press Release section will be dedicated to the two days spent in Tarragona and organized by the MSCA Early Stage Researchers (ESRs).

This meeting aimed to point out the role of ESRs within the ITN-SNAL Network, its possibilities and improve the relationships between the […]

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SCMF – Single Chain Mean Field Theory

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 […]

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Summary of the Meeting in Cambridge 1 October 2014

1-2 October 2014 – Cambridge, Department of Chemical Engineering at the University of Cambridge.

After months of discussions and proposals conducted by supervisors from each host institution and the program director, Dr. Vladimir Baulin, the management meeting in Cambridge sets the beginning of a great adventure!
In an atmosphere both earnest and casual, many topics have been […]

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

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

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