Chemical shift-based methods in NMR structure determination.

ABSTRACT: Chemical shifts are highly sensitive probes harnessed by NMR spectroscopists and structural biologists as conformational parameters to characterize a range of biological molecules. Traditionally, assignment of chemical shifts has been a labor-intensive process requiring numerous samples and a suite of multidimensional experiments. Over the past two decades, the development of complementary computational approaches has bolstered the analysis, interpretation and utilization of chemical shifts for elucidation of high resolution protein and nucleic acid structures. Here, we review the development and application of chemical shift-based methods for structure determination with a focus on ab initio fragment assembly, comparative modeling, oligomeric systems, and automated assignment methods. Thr

SUBMITTER: Nerli S 

PROVIDER: S-EPMC6788782 | biostudies-literature | 2018 Jun - Aug

REPOSITORIES: biostudies-literature