AI model used to generate complete models of proteins in motion

Many drug and antibody discovery pathways focus on intricately folded cell membrane proteins. When molecules of a drug candidate bind to these proteins, like a key going into a lock, they trigger chemical cascades that alter cellular behavior. Understanding how proteins fold and move is therefore essential for developing drugs that interact well with their targets. Artificial intelligence (AI) is a very useful tool to generate novel protein structures, but most systems - including Google DeepMind's AlphaFold - focus on producing static'snapshots' of proteins. Subtle rearrangements of atoms in structures called side chains, which influence a protein's interactions with other molecules, are not captured.