From biomolecular structure to functional understanding: new NMR developments narrow the gap

Biomolecular structure provides the framework for dynamics and function. However, the information of more than 50000 protein and nucleic acid structures solved today has not yet yielded enough insight such that function could be predicted from structure or that structures and dynamics could be predicted to high resolution from sequence alone. Further experimental information is urgently needed to guide the process of relating sequence, structure, dynamics, and ultimately function. Recent progress in solution NMR methods encompasses better detection of dynamics and molecular interactions, a more detailed characterization of folding transitions, increases of the molecular weight limit and sensitivity, strongly enhanced computational approaches, and the in-cell detection of molecules. These developments are highly complementary and narrow the gap between structure and functional understanding. This article discusses recent advances and applications.