Publication

Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra

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Solution nuclear magnetic resonance spectroscopy of bacterial outer membrane proteins in natively excreted vesicles using engineered Escherichia coli

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Gaining structural information on membrane proteins in their native lipid environment is a long-standing challenge in molecular biology. Instead, it is common to employ membrane mimetics, which has been shown to affect protein structure, dynamics, and func ...

WILEY2022

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Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This Primer summarizes the basic principles of NMR spectroscopy as applied to the ...

SPRINGERNATURE2021

Novel Sample Formulations for Pure and Persistent Hyperpolarized Solutions via Dissolution Dynamic Nuclear Polarization

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Nuclear Magnetic Resonance (NMR) spectroscopy allows one to study and analyze the structure, motions and interactions of a broad variety of molecules. However, this technique has a major inconvenience: its low sensitivity, which therefore often results in ...

EPFL2017

Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease

David Lyndon Emsley

The crystal structure of the Form A polymorph of N-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino) ethoxy] phenyl] cyclopropyl] amino]-2-oxo-pyrazin-1-yl] benzamide (i.e., AZD7624), determined using single-crystal X-ray diffraction (scXRD) at 10 ...

Royal Society of Chemistry2017

Dynamic Nuclear Polarization Efficiency Increased by Very Fast Magic Angle Spinning

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Dynamic nuclear polarization (DNP) has recently emerged as a tool to enhance the sensitivity of solid-state NMR experiments. However, so far high enhancements (>100) are limited to relatively low magnetic fields, and DNP at fields higher than 9.4 T signifi ...

American Chemical Society2017

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Interdisciplinarity has become an inherent component of most research and education developments nowadays. It brings with it new challenges, from how to share a common language to how to avoid becoming generalists, as well as new opportunities in solving m ...

2017

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Nuclear magnetic resonance spectroscopy (NMR) can provide a great deal of information about structure and dynamics of biomolecules. The quality of an NMR structure strongly depends on the number of experimental observables and on their accurate conversion ...

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Optimal pathway reconstruction on 3D NMR maps

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A three-dimensional Nuclear Magnetic Resonance (NMR) map displays the results of NMR experiments, that allow to determine the shape of a biological molecule. Shape calculation starts from a reconstruction of a sequence of NMR signals, which is equivalent t ...

Elsevier Science Bv2015

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

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We present a method for the automatic assignment of small molecules' NMR spectra. The method includes an automatic and novel self-consistent peak-picking routine that validates NMR peaks in each spectrum against peaks in the same or other spectra that are ...

Wiley-Blackwell2015

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