Coupling of atomistic and mesoscopic scales: Multiscale modeling of DNA translocation through nanopores |
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| Authors: | Simone Melchionna |
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| Affiliation: | SOFT INFM CNR and Dept. of Physics, University of Rome La Sapienza, P.le A. Moro 2, 00185, Rome, Italy |
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| Abstract: | The basic principles of a novel computational method to model nano-sized systems, such as a polymer embedded in a fluctuating hydrodynamic solvent, are described. The approach is based on a concurrent multi-scale technique rellying on Molecular Dynamics and Lattice Boltzmann in stochastic formulations. We undertook a numerical study of a biopolymer translocating across a nanopore mimicking a device for automatic DNA sequencing. The study revealed that the translocation time obeys a power law dependence on the polymer length with an exponent in agreement with experimental measurements.The scaling behavior is captured by a mean-field model taking into account both the hydrodynamic drag and thermodynamic effects. Results about multi-file translocation of DNA in large pores are briefly described. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) |
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