Publication

Structure and Mechanism of the Influenza A M2(18-60) Dimer of Dimers

Publications associées (33)

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Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

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Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

A Bayesian approach to NMR crystal structure determination

David Lyndon Emsley, Michele Ceriotti, Albert Hofstetter, Edgar Albert Engel, Federico Maria Paruzzo, Andrea Anelli

Nuclear Magnetic Resonance (NMR) spectroscopy is particularly well suited to determine the structure of molecules and materials in powdered form. Structure determination usually proceeds by finding the best match between experimentally observed NMR chemica ...

2019

Three-Dimensional Structure Determination of Surface Sites

David Lyndon Emsley, Moreno Lelli, Pierrick Berruyer, David Benjamin Roger Antoine Gajan

The spatial arrangement of atoms is directly linked to chemical function. A fundamental challenge in surface chemistry and catalysis relates to the determination of three-dimensional structures with atomic-level precision. Here we determine the three-dimen ...

American Chemical Society2017

Study of fast exchanging processes by NMR Spectroscopy

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Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and informative methods to probe molecular dynamics. Specifically, chemical exchange is an important phenomenon and one of the earliest and most vigorously investigated in NMR spectr ...

EPFL2017

Structure of fully protonated proteins by proton-detected magic-angle spinning NMR

David Lyndon Emsley, Andrea Bertarello

Protein structure determination by proton-detected magic-angle spinning (MAS) NMR has focused on highly deuterated samples, in which only a small number of protons are introduced and observation of signals from side chains is extremely limited. Here, we sh ...

National Academy of Sciences2016

Gas-phase probes of kinetically trapped peptides

Liudmila Voronina

Gas-phase techniques are promising for studying intrinsically disordered peptides and proteins, as they can be implemented in a conformer-selective way. One of the issues that prevent them from finding a broader use is the question of to which extent the s ...

EPFL2016

Icosahedral quasicrystal-enhanced nucleation of the fcc phase in liquid gold alloys

Michel Rappaz, Güven Kurtuldu, Alberto Sicco

Although the grain refinement of yellow gold alloys with Jr has been used in industry and known for nearly half a century, the basic mechanism is still unknown. The present contribution shows that the mechanism is the same as that evidenced recently in Al- ...

Elsevier2014

Perspectives of solution NMR spectroscopy for structural and functional studies of integral membrane proteins

Sina Maren Reckel

This article discusses future perspectives of solution NMR spectroscopy to study structures and functions of integral membrane proteins at atomic resolution, based on a review of recent progress in this area. Several selected examples of structure determin ...

Taylor & Francis2013

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