Journal ArticleDOI
SIMPSON: a general simulation program for solid-state NMR spectroscopy.
Reads0
Chats0
TLDR
The program is designed to emulate a NMR spectrometer by letting the user specify high-level NMR concepts such as spin systems, nuclear spin interactions, RF irradiation, free precession, phase cycling, coherence-order filtering, and implicit/explicit acquisition using the Tcl scripting language.About:
This article is published in Journal of Magnetic Resonance.The article was published on 2000-12-01. It has received 1539 citations till now. The article focuses on the topics: Pulse sequence & Computer program.read more
Citations
More filters
Journal ArticleDOI
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR.
Stefan Stoll,Arthur Schweiger +1 more
TL;DR: EasySpin provides extensive EPR-related functionality, ranging from elementary spin physics to data analysis, and provides routines for the simulation of liquid- and solid-state EPR and ENDOR spectra.
Journal ArticleDOI
Modelling one- and two-dimensional solid-state NMR spectra†
Dominique Massiot,Franck Fayon,Mickaël Capron,Ian King,Ian King,Stéphanie Le Calvé,Bruno Alonso,Jean-Olivier Durand,Bruno Bujoli,Zhehong Gan,Gina L. Hoatson +10 more
TL;DR: In this article, the authors present some examples of modeling one and two-dimensional solid-state NMR spectra of I = ½ spin and quadrupolar nuclei, using laboratory-developed software that is made available to the NMR community.
Journal ArticleDOI
Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
TL;DR: Solid-state NMR spectroscopy indicates that amantadine physically occludes the M2 channel, thus paving the way for developing new antiviral drugs against influenza viruses and demonstrates the ability of solid- state NMR to elucidate small-molecule interactions with membrane proteins and determine high-resolution structures of their complexes.
Journal ArticleDOI
Peptide conformation and supramolecular organization in amylin fibrils: constraints from solid-state NMR.
TL;DR: The molecular structure of amylin protofilaments in striated ribbons closely resembles the prot ofilament in amyloid fibrils with a similar morphology formed by the 40-residue beta-amyloid peptide that is associated with Alzheimer's disease.
Journal ArticleDOI
Dynamic nuclear polarization surface enhanced NMR spectroscopy.
Aaron J. Rossini,Alexandre Zagdoun,Moreno Lelli,Anne Lesage,Christophe Copéret,Lyndon Emsley +5 more
TL;DR: The successful application of DNP SENS to characterize hybrid materials, organometallic surface species, and metal-organic frameworks is described, which enables the detailed and expedient atomic level characterization of the surfaces of complex materials at natural isotopic abundance and opens new avenues for NMR.
References
More filters
Book
NMR of proteins and nucleic acids
TL;DR: The NMR Assignment Problem in Biopolymers, two-Dimensional NMR With Proteins and Nucleic Acids, and Sequence-Specific Resonance Assignments.
Journal ArticleDOI
Effects of Diffusion on Free Precession in Nuclear Magnetic Resonance Experiments
H. Y. Carr,Edward M. Purcell +1 more
TL;DR: In this paper, the effect of diffusion on free precession in nuclear resonance has been studied, and a new scheme for measuring the transverse relaxation time is described, which largely circumvents the diffusion effect.
Journal ArticleDOI
Modified Spin‐Echo Method for Measuring Nuclear Relaxation Times
S. Meiboom,D. Gill +1 more
TL;DR: In this article, a spin echo method adapted to the measurement of long nuclear relaxation times (T2) in liquids is described, and the pulse sequence is identical to the one proposed by Carr and Purcell, but the rf of the successive pulses is coherent, and a phase shift of 90° is introduced in the first pulse.