Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA

Journal of Molecular Biology

Volumn 319, Issue 1, 2002, Pages 209-227

  Herrmann, Torsten ^a   Güntert, Peter ^a   Wüthrich, Kurt ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Automated NOE assignment; CANDID; Constraint combination; DYANA; Network anchoring

Indexed keywords

PROTEIN;

ALGORITHM; AMINO ACID SEQUENCE; ARTICLE; COMPUTER PROGRAM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTON NUCLEAR MAGNETIC RESONANCE;

CANDIDA;

EID: 0036308102     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2836(02)00241-3     Document Type: Article

References (41)

1. Relaxation processes in a system of two spins
2. A two-dimensional nuclear Overhauser enhancement (2D NOE) experiment for the elucidation of complete proton-proton cross-relaxation networks in biological macromolecules
3. Elucidation of cross relaxation in liquids by 2D NMR spectroscopy
4. Automated combined assignment of NOESY spectra and three-dimensional protein structure determination
5. The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination
6. A computer-based protocol for semi-automated assignments and 3D structure determination of proteins
7. SANE (structure assisted NOE evaluation): An automated model-based approach for NOE assignment
8. Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA
9. Automated analysis of NMR assignments and structures for proteins
10. Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints
11. Torsion angle dynamics for NMR structure calculation with the new program DYANA
12. Automated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometry
13. Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities
14. Automated NOESY interpretation with ambiguous distance restraints: The refined NMR solution structure of the pleckstrin homology domain from β-spectrin
15. Crystallography and NMR system: A new software suite for macromolecular structure determination
16. Variability in automated assignment of NOESY spectra and three-dimensional structure determination: A test case on three small disulfide-bonded proteins
17. 1H NMR
18. Ambiguous NOEs and automated NOE assignment
19. Solution NMR structure and folding dynamics of the N terminus of a rat non-muscle alpha-tropomyosin in an engineered chimeric protein
20. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
21. Pseudo-structures for the 20 common amino acids for use in studies of protein conformation by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance
22. Conformational analysis of protein and nucleic acid fragments with the new grid search algorithm FOUND
23. Treatment of NOE constraints involving equivalent or nonstereoassigned protons in calculations of biomacromolecular structures
24. Floating stereospecific assignment revisited: Application to an 18 kDa protein and comparison with J-coupling data
25. Point-centered domain decomposition for parallel molecular dynamics simulation
26. The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules
27. A second generation force field for the simulation of proteins. Nucleic acids, and organic molecules
28. Stereochemical quality of protein structure coordinates
29. Towards fully automatic peak picking and integration of biomolecular NMR spectra
30. Ancestral βγ-crystallin precursor structure in a yeast killer toxin
31. NMR structures of three single-residue variants of the human prion protein
32. NMR structure of the calreticulin P-domain
33. NMR structure reveals intramolecular regulation mechanism for pheromone binding and release
34. NMR solution structure of the pathogenesis-related protein P14a
35. Solution conformation of proteinase inhibitor IIA from bull seminal plasma by 1H nuclear magnetic resonance and distance geometry
36. NMR structure and metal interactions of the CopZ copper chaperone
37. NMR structure of the bovine prion protein
38. Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen PROOF bond interactions for the naturally occurring amino acids
39. MOLMOL: A program for display and analysis of macromolecular structures