Multiscale simulation of molecular processes in cellular environments.
Mara ChiricottoFabio SterponePhilippe DerreumauxSimone MelchionnaPublished in: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences (2017)
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'.