Ribonucleic acid (RNA) is one of life's most versatile molecules, with roles going far beyond being a messenger of genetic ...

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

Ribonucleic acid (RNA) is central to gene regulation, but accurately simulating its folding is a long-standing challenge in computational biology. In a recent study, Associate Professor Tadashi Ando ...

Life is motion. And so, to understand how living organisms function, one must understand the movement and reorganisation of the atoms and molecules that compose them. The approach called "molecular ...

AI, ML, and statistical algorithms guide solubilization method selection, demonstrated with compound CVN424. In a poster presentation at AAPS PharmSci 360, by Dineli Ranathunga, PhD, indicates that AI ...

A computational study published in the Journal of Molecular Liquids makes important contributions to the development of new, ...

A study focusing on the identification and characterization of a novel antioxidant peptide from black soybean aqueous extracts, targeting myeloperoxidase (MPO), a key enzyme in oxidative damage ...

Molten carbon can form into either diamond or graphite. A new study shows how graphite can sometimes form even under conditions that should lead to diamond. (Getty Images) The graphite found in your ...

When high explosives are subjected to sudden shock waves, such as from an impact or detonation, tiny regions of intense heat—called hot spots—form at microstructural defects such as pores. These hot ...