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 ...

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

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 ...

Physicists explains how the theoretical chemist Martin Karplus and his team applied the approach of molecular dynamics simulation to a large biological molecule, a protein, deeply impacting biology ...

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 ...

What makes some plastics stick to metal without any glue? Osaka Metropolitan University scientists have peered into the ...

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 ...