Protein Complex

Protein complexes, assemblies of multiple protein chains crucial for biological function, are a central focus of current research in structural biology and computational chemistry. Efforts concentrate on improving the accuracy and efficiency of predicting their 3D structures using diverse machine learning approaches, including graph neural networks, transformers, and reinforcement learning, often addressing challenges like data leakage and computational complexity. These advancements are vital for understanding biological processes and accelerating drug discovery by enabling the accurate modeling of protein interactions and the design of novel therapeutics targeting protein complexes. The development of robust assessment methods for predicted structures is also a key area of focus.