STRUCTURE PREDICTION

Proteins are like tiny machines in our bodies. They do lots of important jobs. But before they can work, they need to fold into the right shape. This is called the native structure. Scientists know a lot about these final shapes. But they don't know much about the shapes proteins take while folding.

Powder X-ray diffraction, or PXRD, is a major tool used to study materials. While it’s commonly used, the part where humans have to manually analyze the data is tough, and automatic methods aren't great at fine details. Predicting exact crystal structures from PXRD has been a challenge. That's where