SpecDB: A relational database for archiving biomolecular NMR spectral data.

ABSTRACT: NMR is a valuable experimental tool in the structural biologist's toolkit to elucidate the structures, functions, and motions of biomolecules. The progress of machine learning, particularly in structural biology, reveals the critical importance of large, diverse, and reliable datasets in developing new methods and understanding in structural biology and science more broadly. Biomolecular NMR research groups produce large amounts of data, and there is renewed interest in organizing these data to train new, sophisticated machine learning architectures and to improve biomolecular NMR analysis pipelines. The foundational data type in NMR is the free-induction decay (FID). There are opportunities to build sophisticated machine learning methods to tackle long-standing problems in NMR data proces

SUBMITTER: Fraga KJ 

PROVIDER: S-EPMC9922030 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature