ABACUS

Applied BACUS


Synopsis

Combines assignment of protein NOESY spectra and structure determination.

Description

ABACUS is a novel approach for protein structure determination that has been applied successfully for more than 20 NESG targets. ABACUS is characterized by use of BACUS, a procedure for automated probabilistic interpretation of NOESY spectra in terms of unassigned proton chemical shifts based on the known information on "connectivity" between proton resonances. BACUS is used in both the resonance assignment and structure calculation steps.

URL

http://nmr.uhnres.utoronto.ca/arrowsmith/abacus.html

Versions

NMRbox Version Software Version
1.0.0 2.5,
2.0.0 2.5,
3.0.0 2.5,

Keywords

  • Structure Determination
  • Automated NOE Assignment

Citations

ABACUS, a direct method for protein NMR structure computation via assembly of fragments
Grishaev A, Steren CA, Wu B, Pineda-Lucena A, Arrowsmith C, Llinas M,
Proteins: Structure, Function, and Bioinformatics. 2005; 61(1): 36--43