Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...

Crystals might look simple, but their growth tells a far more complex and fascinating story. From grains of salt to diamonds, crystals form when particles lock into repeating patterns. For many years, ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

Oxidative decarboxylation of pyruvate to form acetyl–coenzyme A, a crucial step in many metabolic pathways, is carried out in most aerobic organisms by the multienzyme complex pyruvate dehydrogenase.