With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …

Molecular dynamics simulations capture the behavior of biological macromolecules in full
atomic detail, but their computational demands, combined with the challenge of …

We present an implementation of generalized Born implicit solvent all-atom classical
molecular dynamics (MD) within the AMBER program package that runs entirely on CUDA …

The widely used CHARMM additive all‐atom force field includes parameters for proteins,
nucleic acids, lipids, and carbohydrates. In the present article, an extension of the CHARMM …

Coarse-grained (CG) models provide a computationally efficient method for rapidly
investigating the long time-and length-scale processes that play a critical role in many …

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

Molecular mechanics simulations offer a computational approach to study the behavior of
biomolecules at atomic detail, but such simulations are limited in size and timescale by the …

Atomic-scale modeling of compacted nucleic acids has the ability to reveal the inner
workings of spectacular biomolecular machines, yet the outcome of such modeling efforts …

Protein synthesis is one of the major targets in the cell for antibiotics. This review endeavors
to provide a comprehensive “post-ribosome structure” A–Z of the huge diversity of antibiotics …

The sequential addition of amino acids to a growing polypeptide chain is carried out by the
ribosome in a complicated multistep process called the elongation cycle. It involves accurate …