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Multiscale simulation of molecular processes in cellular environments

Articolo
Data di Pubblicazione:
2016
Abstract:
We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of forces resulting in a stable and accurate methodology allowing biosystems of unprecedented size to be simulated. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Cellular compartments; Lattice Boltzmann; Molecular dynamics; Multiscale
Elenco autori:
Melchionna, Simone
Autori di Ateneo:
MELCHIONNA SIMONE
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/327334
Pubblicato in:
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A: MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
Journal
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