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Macromolecules and hydrodynamics: A multiscale simulation approach.
Melchionna S., Miocchi P.
The transport of macromolecules and the role of hydrodynamic forces is relevant in biophysics and in biotechnology. Well-known examples are hydrodynamics regulating protein diffusion in crowding environments or the aggregation process of peptides at the onset of Alzheimer disease, phenomena that are greatly accelerated by solvent-mediated interactions. In principle, such problems involve a huge number of degrees of freedom but one is mainly interested in a much smaller set. To tackle biological complexity, our multiscale strategy combines atom-based and kinetic-based approaches in a new and effective way.