De novo design of drug-binding proteins with predictable binding energy and specificity. (https://pubmed.ncbi.nlm.nih.gov/38574125/)

These scientists wanted to create a special protein that could recognize and bind to certain types of molecules that are used in medicines. They used computers to design this protein without needing to do lots of experiments in a lab. The protein they made was able to bind to different molecules very tightly, almost like a lock fitting perfectly with a key. They also used special techniques to study how the protein and molecules interacted with each other. By doing this, they were able to show that designing proteins with specific functions using only computers is possible. It's like creating a superhero with a special power to find and catch bad guys, but in the world of science!

Lu L., Gou X., Tan SK., Mann SI., Yang H., Zhong X., Gazgalis D., Valdiviezo J., Jo H., Wu Y., Diolaiti ME., Ashworth A., Polizzi NF., DeGrado WF. De novo design of drug-binding proteins with predictable binding energy and specificity. Science. 2024 Apr 5;384(6691):106-112. doi: 10.1126/science.adl5364. Epub 2024 Apr 4.