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Conformation and dynamics of partially active linear polymers.

Marin VatinSumanta KunduEmanuele Locatelli
Published in: Soft matter (2024)
We perform numerical simulations of isolated, partially active polymers, driven out-of-equilibrium by a fraction of their monomers. We show that, if the active beads are all gathered in a contiguous block, the position of the section along the chain determines the conformational and dynamical properties of the system. Notably, one can modulate the diffusion coefficient of the polymer from active-like to passive-like just by changing the position of the active block. Further, we show that a slight modification of the self-propulsion rule may give rise to an enhancement of diffusion under certain conditions, despite a decrease of the overall polymer activity. Our findings may help in the modelisation of active biophysical systems, such as filamentous bacteria or worms.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • magnetic resonance imaging
  • computed tomography