DASHA

DASHA


Synopsis

Process heteronuclear NMR relaxation data.

Description

DASHA is an interactive program designed to investigate dynamics of biomolecules, for which data of 15N or 13C heteronuclear relaxation are available from NMR measurements. A number of sets of longitudinal and transverse relaxation rates of 15N or 13C nuclei and 1H-15N, 13C NOE's obtained at various NMR spectrometer frequencies might be used as the input. The measured longitudinal, transverse relaxation rates and NOE values are interpreted using the model-free approach of Lipari and Szabo (1982, J. Am. Chem. Soc., 104, 4546-4559). In addition to the overall rotational correlation time of the molecule, the internal dynamics of backbone N-H or C-H vectors of two types of internal motions - fast, on a time scale of <20 ps, and intermediate, close to 1 ns could be evaluated by constructing correspondent spectral density functions. Contribution of the conformational exchange to transverse relaxation rates of individual nitrogens or carbons could be elucidated using a set of different rates of the CPMG spin-lock pulse train in measuring T2 relaxation times (Orekhov et al., 1994, Eur. J. Biochem., 219, 887-896). Separate module DIFFC, included into the DASHA software, performs hydrodynamic calculations for proteins with known spatial structure. All input and output data could be easily presented in PostScript format.

URL

https://web.archive.org/web/20150223190004/http://www.nmr.ru/dasha.html

Versions

NMRbox Version Software Version
1.0.0 4.1_gf,
2.0.0 4.1_gf,
3.0.0 4.1_gf,

Keywords

  • Relaxation Analysis

Citations

Processing of heteronuclear NMR relaxation data with the new software DASHA
Orekhov V Yu, Nolde DE, Golovanov AP, Korzhnev DM, Arseniev AS,
Applied Magnetic Resonance. 1995; 9(4): 581--588