Theoretical and computational advances in biomolecular NMR spectroscopy

Current Opinion in Structural Biology

Volumn 12, Issue 2, 2002, Pages 146-153

  Clore, G Marius ^a   Schwieters, Charles D ^b  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^b NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; PROTEIN SUBUNIT; RNA;

ACCURACY; ANISOTROPY; CALCULATION; COMPUTER SIMULATION; DATA BASE; GENOMICS; MACROMOLECULE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN NUCLEIC ACID INTERACTION; PROTEIN PROCESSING; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTEOMICS; RELIABILITY; REVIEW; THEORY;

EID: 0036536642     PISSN: 0959440X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0959-440X(02)00302-0     Document Type: Review

References (67)

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3. Dipolar couplings in macromolecular structure determination
4. Partial alignment of biomolecules: An aid to NMR characterization
5. Dipolar couplings as a probe of molecular dynamics and structure in solution
6. Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium
7. 13C couplings in the structure determination of magnetically oriented macromolecules in solution
8. Measurement of residual dipolar couplings of macromolecules aligned in the nematic phase of a colloidal suspension of rod-shaped viruses
9. Tunable alignment of macromolecules by filamentous phage yields dipolar coupling interactions
10. Measurement of homo- and heteronuclear couplings from quantitative J correlation
11. Determination of protein backbone dihedral angle Ψ from a combination of NMR-derived cross-correlation spin relaxation rates
12. 13Cα chemical shifts and protein backbone conformation
13. Utilization of site-directed spin labeling and high-resolution heteronuclear nuclear magnetic resonance for global fold determination of large proteins with limited nuclear Overhauser effect data
14. Protein global fold determination using site-directed spin and isotope labeling
15. A new method to detect long-range protein-RNA contacts: NMR detection of electron-proton relaxation induced by nitroxide spin-labeled RNA
16. Measurement of proton, nitrogen and carbonyl chemical shift shielding anisotropies in a protein dissolved in a dilute liquid crystalline phase
17. 31P chemical shift anisotropy as an aid in determining nucleic acid structure in liquid crystals
18. Direct structure refinement of high molecular weight proteins against residual dipolar couplings and carbonyl chemical shift changes upon alignment: An application to maltose binding protein
19. Defining long-range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy
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29. An easy way to include weak alignment constraints into NMR structure calculations
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31. Determining the magnitude of the fully asymmetric diffusion tensor from heteronuclear relaxation data in the absence of structural information
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45. Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr
46. Determination of the relative orientation of the two halves of the domain-swapped dimer of cyanovirin-N in solution using dipolar couplings and rigid body minimization
47. Orienting domains in proteins using dipolar couplings measured by liquid-state NMR: Differences in solution and crystal forms of maltodextrin binding protein loaded with β-cyclodextrin
48. What is the average conformation of bacteriophage T4 lysozyme in solution? A domain orientation study using dipolar couplings measured by solution NMR
49. Global structure of RNA determined with residual dipolar couplings
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51. Impact of residual dipolar couplings on the accuracy of NMR structures determined from a minimal number of NOE restraints
52. Protein structure determination using molecular fragment replacement and NMR dipolar couplings
53. Single-step determination of protein substructures using dipolar couplings: Aid to structural genomics
54. Rapid determination of protein folds using residual dipolar couplings
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56. Determination of protein backbone structure using only residual dipolar couplings
57. Recognition of protein folds via dipolar couplings
58. DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts
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60. Study of conformational rearrangement and refinement of structural homology models by the use of heteronuclear dipolar couplings
61. 2+ calmodulin reveals flexible hand-like properties of its domains
62. Generalized Born models of macromolecular solvation effects
63. Modification of the generalized Born model suitable for macromolecules
64. The NMR structure of a DNA dodecamer in an aqueous dilute liquid crystalline phase
65. Structural basis for SRY-dependent 46-X,Y sex reversal: Modulation of DNA bending by a naturally occuring point mutation