On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

For most proteins, structure is function. The complex three-dimensional shapes that proteins adopt create folds and pockets that can accomplish the remarkably improbable: driving chemical reactions ...

Threads or ropes can easily be used for braiding, knotting, and weaving. In chemistry, however, processing molecular strands in this way is an almost impossible task. This is because molecules are not ...

Proteins are important molecules that perform a variety of functions essential to life. To function properly, many proteins must fold into specific structures. However, the way proteins fold into ...

A research team led by a Duke professor recently developed a novel computational model to predict antibody structures, a significant breakthrough for disease prevention efforts. A study published in ...

Most solid materials we rely on, from steel, to plastics and ceramics, are designed to have specific properties. Whether a material is soft and flexible, or stiff and tough depends on how molecules ...