Title | Multiscale simulation of molecular processes in cellular environments |
Publication Type | Journal Article |
Year of Publication | 2016 |
Authors | Chiricotto M, Sterpone F, Derreumaux P, Melchionna S |
Journal | Philosophical Transactions of the Royal Society A-mathematical Physical and Engineering Sciences |
Volume | 374 |
ISSN | 1364-503X |
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’. |
DOI | 10.1098/rsta.2016.0225 |
Citation Key | 2016|1735 |