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Endothelial cells are responsible for the formation of the capillary blood vessel network. We describe a system of endothelial cells by means of two-dimensional molecular dynamics simulations of point-like particles. Cells motion is governed by the gradient of the concentration of a chemical substance that they produce (chemotaxis). The typical time of degradation of the chemical substance introduces a characteristic length in the system. We show that point-like model cells form network resembling structures tuned by this characteristic length, before collapsing altogether. Successively, we improve the non-realistic point-like model cells by introducing an isotropic strong repulsive force between them and a velocity dependent force mimicking the observed peculiarity of endothelial cells to preserve the direction of their motion (persistence). This more realistic model does not show a clear network formation. We ascribe this partial fault in reproducing the experiments to the static geometry of our model cells that, in reality, change their shapes by elongating toward neighboring cells.
The thermal degradation of a graphene-like two-dimensional triangular membrane with bonds undergoing temperature-induced scission is studied by means of Molecular Dynamics simulation using Langevin thermostat. We demonstrate that the probability dist
The mobility of polymer chains in perfect polyethylene (PE) crystal was calculated as a function of temperature and chain length through Molecular dynamics (MD) in united atom approximation. The results demonstrate that the chain mobility drastically
Recent experiments with amyloid-beta (Abeta) peptide suggest that formation of toxic oligomers may be an important contribution to the onset of Alzheimers disease. The toxicity of Abeta oligomers depends on their structure, which is governed by assem
The scission kinetics of bottle-brush molecules in solution and on an adhesive substrate is modeled by means of Molecular Dynamics simulation with Langevin thermostat. Our macromolecules comprise a long flexible polymer backbone with $L$ segments, co
Forced detachment of a single polymer chain, strongly-adsorbed on a solid substrate, is investigated by two complementary methods: a coarse-grained analytical dynamical model, based on the Onsager stochastic equation, and Molecular Dynamics (MD) simu