Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

This chapter provides a primer on theories for coarse-grained (CG) modeling and, in
particular, reviews several systematic methods for determining effective potentials for CG …

Coarse-grained (CG) models of biomolecules have recently attracted considerable interest
because they enable the simulation of complex biological systems on length-scales and …

Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …

Conspectus Low-resolution coarse-grained (CG) models provide the necessary efficiency
for simulating phenomena that are inaccessible to more detailed models. However, in order …

Connecting the molecular world to biology requires understanding how molecular-scale
dynamics propagate upward in scale to define the function of biological structures. To …

Coarse-grained models for proteins and biomolecular aggregates have recently enjoyed
renewed interest. Coarse-grained representations combined with enhanced computer …

Highlights•Coarse-grained models are reduced representations of all-atom models that aim
to retain the essential molecular aspects for the system of interest.•Coarse-grained …

So-called coarse-grained models are a popular type of model for accessing long time scales
in simulations of biomolecular processes. Such models are coarse-grained with respect to …