Model studies on self-assembly of amphiphilic macro-molecules with solvent exposed hydrophobic moieties

Self-assembly at nano-meter length scale by amphiphilic molecules are relevant not only in several neurodegenerative disorders but also in nano-bio technology. Here, we study protein aggregation using a model system of particles having charge at the core but with solvent repelling surface using Monte-Carlo (MC) simulations and mean field analytical treatment. We observe from our simulations that the hydrophobic particles with mutual harmonic interaction of strength α , exhibit aggregation. Electrostatic repulsion between the particles characterized by Debye screening length κ−1 , controls stability of finite clusters or aggregates, the threshold of aggregation being α ~ κ−1.5 . We support our observations qualitatively from mean field analysis.

Giorgia Brancolini - giorgia.brancolini@nano.cnr.it