Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Traffic congestion constitutes one of the most frequent, yet challenging, problems to address in the urban space. Caused by the concentration of population, whose mobility needs surpass the serving capacity of urban networks, congestion cannot be resolved ...