By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …

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

We present an improved and extended version of our coarse grained lipid model. The new
version, coined the MARTINI force field, is parametrized in a systematic way, based on the …

Many biologically interesting phenomena occur on a time scale that is too long to be studied
by atomistic simulations. These phenomena include the dynamics of large proteins and self …

Abstract Membrane remodelling,,,, plays an important role in cellular tasks such as
endocytosis, vesiculation and protein sorting, and in the biogenesis of organelles such as …

In this review, we examine the potential and the challenges of designing an ultrathin reverse
osmosis (RO) membrane from graphene, focusing on the role of computational methods in …

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

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 …

In this review we describe the state-of-the-art of computer simulations studies of lipid
membranes. We focus on collective lipid–lipid and lipid–protein interactions that trigger …