The use of coarse-grained (CG) models can significantly increase the time and length scales
accessible to computational molecular dynamics (MD) simulations. To address very large …

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 …

This partial special issue of the Journal of Chemical Theory and Computation is devoted to
the topic of coarsegraining in molecular modeling and simulation. To my knowledge, it is the …

Molecular dynamics (MD) trajectories based on a classical equation of motion provide a
straightforward, albeit somewhat inefficient approach, to explore and sample the …

Coarse-graining (CG) techniques have recently attracted great interest for providing
descriptions at a mesoscopic level of resolution that preserve fluid thermodynamic and …

Coarse-grained (CG) molecular dynamics (MD) can simulate systems inaccessible to fine-
grained (FG) MD simulations. A CG simulation decreases the degrees of freedom by …

The “bottom-up” approach to coarse-graining, for building accurate and efficient
computational models to simulate large-scale and complex phenomena and processes, is …

Molecular simulations of many phenomena related to biomolecular systems, soft matter and
nanomaterials require consideration of length scales above 10 nm and time scales longer …

This work presents a systematic multiscale methodology to provide a more faithful
representation of real dynamics in coarse-grained molecular simulation models. The …

Coarse-grained (CG) models enable highly efficient simulations of complex processes that
cannot be effectively studied with more detailed models. CG models are often parameterized …