By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

Many physical phenomena and properties of soft matter systems such as synthetic or
biological materials are governed by interactions and processes on a wide range of length …

Coarse-graining is a systematic way of reducing the number of degrees of freedom
representing a system of interest. Several coarse-graining techniques have so far been …

Nanostructures, particularly those from peptide self-assemblies, have attracted great
attention lately due to their potential applications in nanotemplating and nanotechnology …

In bionanotechnology, the field of creating functional materials consisting of bio-inspired
molecules, the function and shape of a nanostructure only appear through the assembly of …

Self-assembly of biomolecules facilitates the creation of a diverse range of hierarchical
nanostructures from a wide range of polymeric and non-polymeric materials. Peptides and …

Several short peptide sequences are known to self-assemble into supramolecular
nanostructures with interesting properties. In this study, coarse-grained molecular dynamics …

Life's diverse molecular functions are largely based on only a small number of highly
conserved building blocks–the twenty canonical amino acids. These building blocks are …

Many physical phenomena and properties of soft matter systems are characterized by an
interplay of interactions and processes that span a wide range of length-and time scales …

Hybrid simulations, in which part of the system is represented at atomic resolution and the
remaining part at a reduced, coarse-grained, level offer a powerful way to combine the …