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 ...

Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...

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 ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them in cell membrane vesicles. For a vesicle to detach, the neck of the ...

New psychoactive substances, originally developed as potential analgesics but abandoned due to adverse side effects, may still have pharmaceutical value if researchers could nail down the causes of ...

Using AI, researchers identified one tiny molecular interaction that viruses need to infect cells. Disrupting it stopped the ...

Washington State University researchers are using AI and simulations to pinpoint a single molecular interaction that blocks ...