Magic-angle spinning solid-state NMR spectroscopy is an important technique to study
molecular structure, dynamics and interactions, and is rapidly gaining importance in …

Magic angle spinning (MAS) nuclear magnetic resonance (NMR) has evolved significantly
over the past three decades and established itself as a vital tool for the structural analysis of …

The cell walls of plants and microbes are a central source for bio-renewable energy and the
major targets of antibiotics and antifungal agents. It is highly challenging to determine the …

Conducting large-scale solid-state NMR simulations requires fast computer software
potentially in combination with efficient computational resources to complete within a …

Proton detection developed in the last 20 years as the method of choice to study
biomolecules in the solid state. In perdeuterated proteins, proton dipolar interactions are …

High resolution proton spectra are obtained in MAS solid-state NMR in case samples are
prepared using perdeuterated protein and D2O in the recrystallization buffer. Deuteration …

Dipolar recoupling is a central concept in the nuclear magnetic resonance spectroscopy of
powdered solids and is used to establish correlations between different nuclei by …

When applied to biomolecules, solid-state NMR suffers from low sensitivity and resolution.
The major obstacle to applying proton detection in the solid state is the proton dipolar …

2H quadrupolar line shapes deliver rich information about protein dynamics. A newly
designed 3D 2H–13C–13C solid-state NMR magic angle spinning (MAS) experiment is …

This chapter provides a number of examples of numerical simulations in NMR. Main focus is
on advanced simulations in solid-state NMR using the widely used SIMPSON simulation …