Using deep learning to predict physical interactions of protein complexes

A 3D rendering of a protein complex structures predicted from protein sequences by AF2Complex. From the muscle fibers that move us to the enzymes that replicate our DNA, proteins are the molecular machinery that makes life possible. Protein function heavily depends on their three-dimensional structure, and researchers around the world have long endeavored to answer a seemingly simple inquiry to bridge function and form: if you know the building blocks of these molecular machines, can you predict how they are assembled into their functional shape? This question is not so easy to answer. With complex structures dependent on intricate physical interactions, researchers have turned to artificial neural network models – mathematical frameworks that convert complex patterns into numerical representations – to predict and "see" the shape of proteins in 3D.