Chromatin must fold into organized three-dimensional structures within the cell nucleus to enable gene regulation and replication. Chromosome conformation capture (Hi-C) experiments have provided ...

The analysis of complex systems with many degrees of freedom generally involves the definition of low-dimensional collective variables more amenable to physical understanding. Their dynamics can be ...

When density functional theory is used to describe the electronic structure of periodic systems, the application of Bloch's theorem to the Kohn-Sham wavefunctions greatly facilitates the calculations.

Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across ...

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Hydrogen bonds (1, 2) are one of the principal intermolecular ...