su Archives - ITN SNAL - Marie Curie Initial Training Network

Nanoparticles of Various Degrees of Hydrophobicity Interacting with Lipid Membranes

Chanfei Su — Mon, 28 Aug 2017 15:15:02 +0000

J. Phys. Chem. Lett., 8, 4069–4076 (2017). Chan-Fei Su, Holger Merlitz, Hauke Rabbel, and Jens-Uwe Sommer Using coarse-grained molecular dynamics simulations, we study the passive translocation of nanoparticles with a size of about 1 nm and with tunable degrees of hydrophobicity through lipid bilayer membranes. We observe a window of translocation with a sharp maximum for nanoparticles having a hydrophobicity in between hydrophilic and hydrophobic. Passive translocation can be identified as diffusive motion of individual particles in a free energy landscape. By combining direct sampling with umbrella-sampling techniques we calculate the free energy landscape for nanoparticles covering a wide range

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Workshop in Salou

Adrien Berthault — Thu, 24 Dec 2015 17:25:12 +0000

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 of this workshops were not only SNAL-ITN members, but also external scientists from all over the world. During this three-day workshop, experts and young researchers from different backgrounds (physics, biochemistry, biophysics, polymer chemistry, medicine and industry) discussed together about different topics, including phospholipid bilayer theory

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ESR4-D: Molecular dynamics simulations of lipid bilayers and their interactions with nano-objects

Chanfei Su — Thu, 05 Dec 2013 14:50:55 +0000

Theoretical physics, theory in soft matter, computer simulations Contact Chanfei Su Objectives The challenge of this project is to understand the role of molecular properties of self-organized phosphor-lipid bilayers on the interaction behaviour with nano-objects such as spherical nanoparticles, stiff rods and protein-like copolymers: Implementing an appropriately coarse-grained model for bilayer membranes based on highly parallelized LAMPS-code. Dynamics of lipids and extension to multi-component membranes consisting of lipids and cholesterol-like molecules. Analysing the effects of charge and stiffness of lipids on the effective interaction potentials with nano-objects. Understanding the influence of nano-objects on permeation, rupture and pore-formation. Tasks and methodology Implementing

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