IOC / IBG-4 - Magnetische Resonanz
Anisotropic NMR
Anisotropic Parameters in Liquid State NMR (RDCs)

NMR structure analysis is the main technique used for the determination of configuration, conformation, and constitution of organic compounds. Classical procedures are based on the combined use of chemical shifts, spin-spin coupling constants, and nuclear Overhauser effects (NOEs).

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KIT logo with Optimal Control Theory
Optimal Control Theory for Optimizing NMR Experiments

Optimal Control Theory and the GRAPE algorithm derived from is an efficient method to optimize pulse sequences consisting of hundreds or thousands of parameters. 

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Pulse Sequences AK Bulu
Pulse Sequence Development

Development of novel and optimization of existing NMR pulse sequences which in general allow a faster and more accurate determination of NMR parameters which are obtained from the different kinds of spectra.

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Computational Chemistry logo
Computational Chemistry

The measured experimental anisotropic parameters contain valuable structural information, which can be used in MD simulations of the organic molecules.

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metabolomics logo
Metabolomics

Metabolites are products of cellular biochemical processes that are found in organisms. The metabolome is regarded as a chemical fingerprint of the organism.

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structural chemistry logo
Structural Biology

We study by NMR spectroscopy how protein function is related to structure e.g. how mutations affect the structural integrity of the protein. 

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pro2nmr logo
Joint Research

Pro2NMR

SFB

FOR2290 i-Proteolosis

Hyperdiamond

 

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