Generalized biomolecular modeling and design with RoseTTAFold All-Atom. (https://pubmed.ncbi.nlm.nih.gov/38452047/)

These scientists wanted to find a way to use computers to help them understand how different molecules in our bodies work together. They created a new computer program called RoseTTAFold All-Atom (RFAA) that can predict how proteins, DNA, and other molecules interact with each other based on their building blocks.

To test their program, they focused on designing proteins that could bind to specific molecules that are important for treating heart disease and other conditions. They used the program to create new protein structures that were able to attach to these molecules. Then, they tested these designs in the lab to see if they worked in real life.

By using this new program, the scientists were able to design and test proteins that could potentially help in developing new treatments for different diseases.

Krishna R., Wang J., Ahern W., Sturmfels P., Venkatesh P., Kalvet I., Lee GR., Morey-Burrows FS., Anishchenko I., Humphreys IR., McHugh R., Vafeados D., Li X., Sutherland GA., Hitchcock A., Hunter CN., Kang A., Brackenbrough E., Bera AK., Baek M., DiMaio F., Baker D. Generalized biomolecular modeling and design with RoseTTAFold All-Atom. Science. 2024 Mar 7:eadl2528. doi: 10.1126/science.adl2528.