Abstracts: November 14, 2024
TONG WANG: Thank you, Bonnie.
KRUFT: Microsoft Research is one of the earliest institutions to apply AI in biomolecular simulation research. Why did the AI for Science team choose this direction, and—with this work specifically, AI2BMD—what problem are you and your coauthors addressing, and why should people know about it?
WANG: So as Richard Feynman famously said, “Everything that living things do can be understood in terms of the jigglings and the wigglings of atoms.” To study the mechanisms behind the biological processes and to develop biomaterials and drugs requires a computational approach that can accurately characterize the dynamic motions of biomolecules. When we review the computational research for biomolecular structure, we can get two key messages. First, in recent years, predicting the crystal, or static, protein structures with