Volume 32, Issue 2 , Pages 107-139, 30 April 1998
Ambiguous NOEs and automated NOE assignment
Keywords: NMR, Nuclear magnetic resonance, Nuclear Overhauser effect, Simulated annealing, Distance geometry, Threedimensional solution structure, Symmetric oligomer
Abbreviations:
ArgRN, Arg Repressor N-terminal domain,
dsRBD, double-stranded RNA binding domain,
PH, Pleckstrin homology,
KH, K homology,
PDI, Protein disulphide isomeraze,
ssDBP, single stranded DNA binding protein,
MDSA, molecular dynamics-based simulated annealing,
SA, simulated annealing,
RMSD, root mean square difference,
RD, reliability distance,
α,β,γ,σ, coefficients of the soft-square potential,
δppm, frequency tolerance,
Δ+,Δ−, error estimates for NOE derived distance,
d,dif, distance between atoms i and j in a structural model,
dmin, minimum distance in an ensemble of structures,
dave, average distance in an ensemble of structures,
, summed distance,
D, distance (single or summed),
E, energy,
kNOE, NOE energy constant,
L, lower limit on distance,
Nδ, number of possible assignments within δppm,
Sconv, number of converged structures in an ensemble,
U, upper limit on distance,
V, NOE volume,
w, weight
No abstract is available. To read the body of this article, please view the PDF online.
To access this article, please choose from the options below
PII: S0079-6565(97)00025-3
© 1998 Published by Elsevier Inc.
Volume 32, Issue 2 , Pages 107-139, 30 April 1998
