Coarse-grained simulations have emerged as a valuable tool in the study of large and
complex biomolecular systems. These simulations, which use simplified models to represent …

Molecular dynamics (MD) simulations at the atomic scale are a powerful tool to study the
structure and dynamics of model biological systems. However, because of their high …

The study of very large biomolecular systems over extended spatial and temporal scales is
being accomplished through the use of coarse-grained (CG) models. The successes of …

We review the state-of-the-art in computational molecular simulations for biological systems.
We limit our discussion to three fields: all-atom simulations, coarse-grained models, and …

Recently, we saw a dramatic increase in the number of researches that rely on coarse-
grained (CG) simulations for large biomolecules. Here, first, we briefly describe recently …

Over the last few years, coarse-grained molecular dynamics has emerged as a way to model
large and complex systems in an efficient and inexpensive manner due to its lowered …

By simplifying the atomistic representation of a biomolecular system, coarse-grained (CG)
approach enables the molecular dynamics simulation to reveal the biological processes …

Atomistic molecular dynamics (MD) simulations have become an indispensable tool for
investigating the structure, dynamics, and energetics of biomolecules. Continual …

Coarse-grained molecular dynamics (CGMD) simulations are increasingly being used to
analyze the behaviors of biological systems. When appropriately used, CGMD can simulate …

Conspectus Due to hierarchic nature of biomolecular systems, their computational modeling
calls for multiscale approaches, in which coarse-grained (CG) simulations are used to …