The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …

Molecular dynamics (MD) is an invaluable tool with which to study protein folding in silico.
Although just a few years ago the dynamic behavior of a protein molecule could be …

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

Protein folding is considered here by studying the dynamics of the folding of the triple β-
strand WW domain from the Formin-binding protein 28. Starting from the unfolded state and …

A unified coarse-grained model of three major classes of biological molecules—proteins,
nucleic acids, and polysaccharides—has been developed. It is based on the observations …

We report the modification and parametrization of the united-residue (UNRES) force field for
energy-based protein structure prediction and protein folding simulations. We tested the …

By combining experiment and molecular simulation, in this work we have systematically
elucidated the fundamental mechanism of the significantly improved damping property of …

By using principal component analysis (PCA) to examine the molecular dynamics (MD) of
protein folding trajectories, generated with the coarse-grained UNRES force field, for the B …

The implementation of molecular dynamics (MD) with our physics-based protein united-
residue (UNRES) force field, described in the accompanying paper (Khalili et al. J. Phys …

The biological significance of proteins attracted the scientific community in exploring their
characteristics. The studies shed light on the interaction patterns and functions of proteins in …