Biomolecular Structure

Biomolecular structure research focuses on understanding and predicting the three-dimensional arrangements of molecules like proteins, carbohydrates, and DNA, crucial for understanding biological function. Current efforts leverage machine learning, particularly graph neural networks and diffusion probabilistic models, to predict NMR chemical shifts, design novel biomolecules (e.g., antibodies), and optimize data storage in DNA. These advancements improve our ability to analyze existing structures, design new ones with specific properties, and develop innovative technologies, impacting fields ranging from drug discovery to data storage.