The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

The biomolecular modeling field has flourished since its early days in the 1970s due to the
rapid adaptation and tailoring of state-of-the-art technology. The resulting dramatic increase …

Compared with rapid accumulation of protein sequences from high-throughput DNA
sequencing, obtaining experimental 3D structures of proteins is still much more difficult …

In the postgenomic era, the medical/biological fields are advancing faster than ever.
However, before the power of full-genome sequencing can be fully realized, the connection …

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 …

Proteins fold to their lowest free-energy structures, and hence the most straightforward way
to increase the accuracy of a partially incorrect protein structure model is to search for the …

A server implementation of the UNRES package (http://www. unres. pl) for coarse-grained
simulations of protein structures with the physics-based UNRES model, coined a name …

Molecular dynamics with coarse-grained models is nowadays extensively used to simulate
biomolecular systems at large time and size scales, compared to those accessible to all …

Proteins are one of the most versatile modular assembling systems in nature.
Experimentally, more than 110 000 protein structures have been identified and more are …

The protein structure prediction problem continues to elude scientists. Despite the
introduction of many methods, only modest gains were made over the last decade for certain …