303 citations · 868 across the 25 of their papers we have counts for
7 papers · 1 filter
Quantized biopolymer translocation through nanopores: departure from simple scaling
Simone Melchionna, Massimo Bernaschi, Maria Fyta +2
We discuss multiscale simulations of long biopolymer translocation through wide nanopores that can accommodate multiple polymer strands. The simulations provide clear evidence of f…
Numerical simulation of conformational variability in biopolymer translocation through wide nanopores
Maria Fyta, Simone Melchionna, Massimo Bernaschi +2
Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular…
Hydrodynamic correlations in the translocation of biopolymer through a nanopore: theory and multiscale simulations
Maria Fyta, Simone Melchionna, Sauro Succi +1
We investigate the process of biopolymer translocation through a narrow pore using a multiscale approach which explicitly accounts for the hydrodynamic interactions of the molecule…
Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of s…
Multiscale modeling of biopolymer translocation through a nanopore
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (M…
Exploring DNA translocation through a nanopore via a multiscale Lattice-Boltzmann Molecular-Dynamics methodology
Simone Melchionna, Maria Fyta, Efthimios Kaxiras +1
A multiscale approach is used to simulate the translocation of DNA through a nanopore. Within this scheme, the interactions of the molecule with the surrounding fluid (solvent) are…