Publications [#228185] of Nicolas Buchler

Papers Published
  1. Buchler, NEG; Zuiderweg, ERP; Wang, H; Goldstein, RA, Protein Heteronuclear NMR Assignments Using Mean-Field Simulated Annealing, Journal of Magnetic Resonance, vol. 125 no. 1 (1997), pp. 34-42 .

    A computational method for the assignment of the NMR spectra of larger (21 kDa) proteins using a set of six of the most sensitive heteronuclear multidimensional nuclear magnetic resonance experiments is described. Connectivity data obtained from HNCα, HN (CO) Cα, HN (Cα)Hα, and Hα(CαCO)NH and spin-system identification data obtained from CP-(H)CCH-TOCSY and CP-(H)C(CαCO)NH-TOCSY were used to perform sequence-specific assignments using a mean-field formalism and simulated annealing. This mean-field method reports the resonance assignments in a probabilistic fashion, displaying the certainty of assignments in an unambiguous and quantitative manner. This technique was applied to the NMR data of the 172-residue peptide-binding domain of the E. coli heat-shock protein, DnaK. The method is demonstrated to be robust to significant amounts of missing, spurious, noisy, extraneous, and erroneous data. © 1997 Academic Press.