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 ...

Molecular dynamics simulations offer a detailed atomic-scale perspective of liquid interfaces, enabling researchers to probe structural and dynamical properties that govern the boundary between ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them ...

Computer simulations revealed the detailed mechanism of how the protein "dynamin" works to form small vesicles within cells.While dynamin uses GTP ...

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 ...

"Dr. Domanski embodies the spirit of OpenFold: a deep scientific understanding of proteins coupled with professional engineering expertise and a builder's mindset," said Dr. Woody Sherman, Chair of ...

In a new study published in Nature Physics, researchers have achieved the first experimental observation of a ...

Researchers have used cryo-EM and computational tools to visualize ribozyme assembly, shedding light on life's most versatile molecule.

Hydration modulates aromatic interactions, explaining why Tyr is a stronger sticker than Phe in aqueous environments like protein condensates but not in the cores of folded proteins.

Liquids and solutions are complex environments—think, for example, of sugar dissolving in water, where each sugar molecule ...

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