期刊
出版社
ROYAL SOC
DOI: 10.1098/rsta.2016.0225
关键词
multiscale; molecular dynamics; lattice Boltzmann; cellular compartments
资金
- European Research Council under the European Community [258748]
- GENCI (CINES
- GENCI (TGCC) [x201576818]
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'.
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