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Structure-oriented methods for protein NMR data analysis

Authors:	Guillermo A. Bermejo,Miguel Lliná s

Affiliation:	Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213, USA

Abstract:

Keywords:	Abbreviations: 2D, two-dimensional 3D, three-dimensional 4D, four-dimensional ABACUS, applied BACUS ADC, antidistance constraint ALFA, algorithm for fast assignment ANSRS, assignment of NOESY spectra in real space ARIA, ambiguous restraints for iterative assignment AURELIA, automated resonance line assignment AUTOPSY, automated peak picking for NMR spectroscopy BACUS, Bayesian analysis of coupled unassigned spins BPTI, bovine pancreatic trypsin inhibitor CCPN, collaborative computing project for NMR CLOUDS, computed location of unassigned spins CNS, crystallographic/NMR refinement software Conk-S1, conkunitzin-S1 Conk-S2, conkunitzin-S2 COSY, correlation spectroscopy D_a, magnitude of the alignment tensor DG, distance geometry DGPA, distance geometry proton assignment FMC, fragment Monte Carlo FOC, family of clouds GARANT, general algorithm for resonance assignment HSQC, heteronuclear single quantum coherence ISD, inferential structure determination ISPA, isolated spin pair approximation ITAS, iterative assignment and structure MBP, maltose-binding protein MC, Monte Carlo MD, molecular dynamics MUCA, multicanonical NMR, nuclear magnetic resonance NOE, nuclear Overhauser effect NOESY, nuclear Overhauser effect spectroscopy NVR, nuclear vector replacement PDB, protein data bank PDP, probability density profile PICS, peak improvement by calibration and selection R, rhombicity of the alignment tensor RDC, residual dipolar coupling REDCAT, residual dipolar coupling analysis tool REDCRAFT, residual dipolar coupling based residue assembly and filter tool RMSD, root-mean-square deviation S, Saupe order matrix SA, simulated annealing SC-CLOUDS, sparse-constraint CLOUDS SEASCAPE, sequential assignment by structure and chemical shift assisted probability estimation TALOS, torsion angle likelihood obtained from shifts and sequence similarity TOCSY, total correlation spectroscopy
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