Lipid bilayers models, coarse-grained

Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane Coarse-Grained Model Simulation... 

Dissipative particle dynamics (DPD) is a meshless, coarse-grained, particle-based method used to simulate systems at mesoscopic length and timescales (Coveney and Espafiol 1997 Espafiol and Warren 1995). In simple terms, DPD can be interpreted as coarse-grained MD. Atoms, molecules, or monomers are grouped together into mesoscopic clusters, or beads, that are acted on by conservative, dissipative, and random forces. The interaction forces are pairwise additive in nature and act between bead centers. Connections between DPD and the macroscopic (hydrodynamic, Navier-Stokes) level of description (Espanol 1995 Groot and Warren 1997), as well as microscopic (atomistic MD) have been well established (Marsh and Coveney 1998). DPD has been used to model a wide variety of systems such as lipid bilayer membranes (Groot and Rabone 2001), vesicles (Yamamoto et al. 2002), polymersomes (Ortiz et al. 2005), binary immiscible fluids (Coveney and Novik 1996), colloidal suspensions (Boek et al. 1997), and nanotube polymer composites (Maiti etal.2005). 

Jakobsen, A. F., Mouritsen, O. G., and Resold, G. 2005. Artifacts in dynamical simulations of coarse-grained model lipid bilayers. J. Chem. Phys. 122 204901. 

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