منابع مشابه
NMR crystallography of α-poly(L-lactide).
A complementary approach that combines NMR measurements, analysis of X-ray and neutron powder diffraction data and advanced quantum mechanical calculations was employed to study the α-polymorph of L-polylactide. Such a strategy, which is known as NMR crystallography, to the best of our knowledge, is used here for the first time for the fine refinement of the crystal structure of a synthetic pol...
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Most biological macromolecules function correctly only if they are folded into their proper or ‘native’ shape. To fully understand the details of how a molecule functions, one must first know its structure in as much detail as possible. The discovery of X-rays by Röntgen at the end of the nineteenth century was rapidly followed by their use for exploring the structures of crystals by von Laue a...
متن کاملHigh-pressure protein crystallography and NMR to explore protein conformations.
High-pressure methods for solving protein structures by X-ray crystallography and NMR are maturing. These techniques are beginning to impact our understanding of thermodynamic and structural features that define not only the protein's native conformation, but also the higher free energy conformations. The ability of high-pressure methods to visualize these mostly unexplored conformations provid...
متن کاملCrystallographic and Dynamic Aspects of Solid‐State NMR Calibration Compounds: Towards ab Initio NMR Crystallography
The excellent results of dispersion-corrected density functional theory (DFT-D) calculations for static systems have been well established over the past decade. The introduction of dynamics into DFT-D calculations is a target, especially for the field of molecular NMR crystallography. Four (13) C ss-NMR calibration compounds are investigated by single-crystal X-ray diffraction, molecular dynami...
متن کاملNMR crystallography: the effect of deuteration on high resolution 13C solid state NMR spectra of a 7-TM protein.
The effect of deuteration on the 13C linewidths of U-13C, 15N 2D crystalline bacteriorhodopsin (bR) from Halobacterium salinarium, a 248-amino acid protein with seven-transmembrane (7TM) spanning regions, has been studied in purple membranes as a prelude to potential structural studies. Spectral doubling of resonances was observed for receptor expressed in 2H medium (for both 50:50% 1H:2H, and ...
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ژورنال
عنوان ژورنال: EPJ Web of Conferences
سال: 2012
ISSN: 2100-014X
DOI: 10.1051/epjconf/20123002003