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Improved simulation of NOESY spectra by RELAX-JT2 including effects of J-coupling, transverse relaxation and chemical shift anisotropy

Ried, Andreas and Gronwald, Wolfram and Trenner, Jochen M. and Brunner, Konrad and Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2004) Improved simulation of NOESY spectra by RELAX-JT2 including effects of J-coupling, transverse relaxation and chemical shift anisotropy. Journal of Biomolecular NMR 30 (2), pp. 121-131.

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Abstract

RELAX-JT2 is an extension of RELAX, a program for the simulation of 1H 2D NOESY spectra and (15)N or (13)C edited 3D NOESY-HSQC spectra of biological macromolecules. In addition to the already existing NOE-simulation it allows the proper simulation of line shapes by the integrated calculation of T(2) times and multiplet structures caused by J-couplings. Additionally the effects of relaxation ...

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Item Type:Article
Date:2004
Institutions:Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer
Projects:Graduiertenkolleg Nichtlinearität und Nichtgleichgewicht
Identification Number:
ValueType
15666559PubMed ID
10.1023/B:JNMR.0000048945.88968.afDOI
Classification:
NotationType
AnisotropyMESH
Bacterial Proteins/chemistryMESH
Computer SimulationMESH
Models, MolecularMESH
Nuclear Magnetic Resonance, Biomolecular/methodsMESH
Phosphoenolpyruvate Sugar Phosphotransferase System/chemistryMESH
Protein Structure, TertiaryMESH
SoftwareMESH
Staphylococcus/chemistryMESH
Dewey Decimal Classification:500 Science > 530 Physics
500 Science > 570 Life sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Deposited On:09 Sep 2010 07:09
Last Modified:14 Apr 2016 09:27
Item ID:16530
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