Demixing and polymerization in systems of anisotropic globular particles: A molecular dynamics simulation study

Abstract

We report a first set of results of Molecular Dynamics simulations of phase separation in a two‐dimensional system of identical particles bearing attachment sites at their surface. Morphology of regions of aggregation so obtained appear similar to images of biologically self‐assembled structures. Also, they evidence the relevance of the region of thermodynamic instability and of the presence and range of interaction of specific attachment sites. Particles of our system are apt to represent indifferently, though grossly, globular proteins or rigid cells, bearing specific and fixed adhesion sites at their surface. Results illustrate some basic aspects of the origin of the morphology of extended biomolecular/cellular structures, self‐organized from initially homogeneous solutions.