| Literature DB >> 27698046 |
Mara Chiricotto1, Fabio Sterpone1, Philippe Derreumaux1, Simone Melchionna2.
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'.Keywords: cellular compartments; lattice Boltzmann; molecular dynamics; multiscale
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Year: 2016 PMID: 27698046 PMCID: PMC5052736 DOI: 10.1098/rsta.2016.0225
Source DB: PubMed Journal: Philos Trans A Math Phys Eng Sci ISSN: 1364-503X Impact factor: 4.226