Sentence examples for assignment and structure from inspiring English sources
To enable the assignment and structure determination also of the structured part of Fst, a shorter version of the peptide was synthesized which consists of the 27 N-terminal residues (Fst1−27).
The combined automated NOE assignment and structure determination protocol was used to automatically assign the NOE cross-peaks identified in 2D NOESY spectrum and to produce preliminary structures.
Therefore, it is highly desired to automate as many of the steps "peak picking", "assignment", and "structure calculation" as possible in a self-consistent manner.
Cheminformatics plays an increasingly important role in structure validation by NMR spectroscopy, providing methods and algorithms for computer-assisted NMR spectra assignment and structure elucidation [1 8], as well as prediction and simulation [9 19] of spectra.
Automated NOE assignment and structure calculations were performed using the program CYANA v2.1 [17].
Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from 1H/1H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions.
The high quality of the HSQC spectra of the oxidized CREMP-2Rep protein indicates that full resonance assignments and structure determination will be feasible from a series of 3D heteronuclear correlation experiments; these studies are currently ongoing in our laboratory.
Particularly, they should facilitate NMR resonance assignments and structure refinement using residual dipolar couplings (RDC).
Automated NOE assignments and structure calculations with torsion angle dynamics were performed with the program CYANA 2.1 (68– 71).
Complete H/C/N assignments and structure determination were carried out using conventional methods (Supplementary Table S1).
Automated NOE assignments and structure calculations were performed using the CANDID/CYANA protocol as described in the Experimental section.
