Quantitative analysis of protein dynamics using a deep learning technique combined with experimental cryo-EM density data and MD simulations.

ABSTRACT: Protein functions associated with biological activity are precisely regulated by both tertiary structure and dynamic behavior. Thus, elucidating the high-resolution structures and quantitative information on in-solution dynamics is essential for understanding the molecular mechanisms. The main experimental approaches for determining tertiary structures include nuclear magnetic resonance (NMR), X-ray crystallography, and cryogenic electron microscopy (cryo-EM). Among these procedures, recent remarkable advances in the hardware and analytical techniques of cryo-EM have increasingly determined novel atomic structures of macromolecules, especially those with large molecular weights and complex assemblies. In addition to these experimental approaches, deep learning techniques, such as AlphaFold

SUBMITTER: Matsumoto S 

PROVIDER: S-EPMC10941960 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature