1.WHAT CHINESE RESEARCHERS INVENT ?
Researchers in China have developed AI models that can predict the complex structural changes induced by protein molecules, potentially accelerating new drug development. The team says their machine learning model can accurately predict the complex molecular changes that determine drug efficacy.
2.WHY IT IS UNIQUE?
This model can not only predict the future conformation of a protein according to its previous state, but also predict the conformational change after interacting with a drug molecule, providing an opportunity to evaluate drug effects.
3.HOW PROTMD WORK?
ProtMD’s algorithms can calculate protein motions at the atomic level and generate molecular dynamics-based data. ProtMD is more popular than other methods, including AlphaFold, because of its different computational logic, but its performance level is the same for unknown structure pairs, the researchers say.