4.5 Article

Multiscale simulation of molecular processes in cellular environments

出版社

ROYAL SOC
DOI: 10.1098/rsta.2016.0225

关键词

multiscale; molecular dynamics; lattice Boltzmann; cellular compartments

资金

  1. European Research Council under the European Community [258748]
  2. GENCI (CINES
  3. GENCI (TGCC) [x201576818]

向作者/读者索取更多资源

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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