Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …

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

Coarse-grained models for proteins and biomolecular aggregates have recently enjoyed
renewed interest. Coarse-grained representations combined with enhanced computer …

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

Considerable progress has been recently achieved in the multiscale modeling of complex
biological processes. Multiscale models have now investigated the structure and dynamics …

The recently developed multiscale coarse-graining (MS-CG) method (Izvekov, S.; Voth, GAJ
Phys. Chem. B 2005, 109, 2469; J. Chem. Phys. 2005, 123, 134105) is used to build a mixed …

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 …

Multiscale computer simulation algorithms are required to describe complex molecular
systems with events occurring over a range of time and length scales. True multiscale …

Coarse-grained (CG) models for mixed dimyristoylphosphatidylcholine (DMPC)/cholesterol
lipid bilayers are constructed using the recently developed multiscale coarse-graining (MS …

The application of classical molecular dynamics (MD) simulations at atomic resolution (fine-
grained level, FG), to most biomolecular processes, remains limited because of the …