On the use of 3J-coupling NMR Data to derive structural information on proteins

On the use of 3J-coupling NMR Data to derive structural information on proteins

Values of 3 J-couplings as obtained from NMR experiments on proteins cannot easily be used to determine protein structure due to the difficulty of accounting for the high sensitivity of intermediate 3 J-coupling values (4 – 8 Hz) to the averaging period that must cover the conformational variability...

Detaylı Bibliyografya
Asıl Yazarlar:	Smith, LJ, van Gunsteren, W, Stankiewicz, B, Hansen, N
Materyal Türü:	Journal article
Dil:	English
Baskı/Yayın Bilgisi:	Springer Nature 2021

Benzer Materyaller

A method to derive structural information on molecules from residual dipolar coupling NMR data
Yazar:: van Gunsteren, WF, ve diğerleri
Baskı/Yayın Bilgisi: (2022)

On the use of side-chain NMR relaxation data to derive structural and dynamical information on proteins: A case study using Hen Lysozyme
Yazar:: Smith, LJ, ve diğerleri
Baskı/Yayın Bilgisi: (2020)

On the use of time-averaging restraints when deriving biomolecular structure from 3J-coupling values obtained from NMR experiments
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2016)

Using complementary NMR data sets to detect inconsistencies and model flaws in the structure determination of human interleukin-4
Yazar:: Smith, LJ, ve diğerleri
Baskı/Yayın Bilgisi: (2017)

Interpretation of seemingly contradictory data: low NMR S2 order parameters observed in helices and high NMR S2 order parameters in disordered loops of the protein hGH at low pH
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2017)

Molecular structure refinement based on residual dipolar couplings: a comparison of the molecular rotational-sampling method with the alignment-tensor approach
Yazar:: Pechlaner, M, ve diğerleri
Baskı/Yayın Bilgisi: (2024)

Molecular structure refinement based on residual dipolar couplings using magnetic-field rotational sampling
Yazar:: Pechlaner, M, ve diğerleri
Baskı/Yayın Bilgisi: (2024)

Structure of hen egg-white lysozyme solvated in TFE/water: a molecular dynamics simulation study based on NMR data.
Yazar:: Eichenberger, A, ve diğerleri
Baskı/Yayın Bilgisi: (2013)

Structure of hen egg-white lysozyme solvated in TFE/water: a molecular dynamics simulation study based on NMR data
Yazar:: Eichenberger, A, ve diğerleri
Baskı/Yayın Bilgisi: (2013)

Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? a case study using hen lysozyme
Yazar:: Pechlaner, M, ve diğerleri
Baskı/Yayın Bilgisi: (2022)

Deriving structural information from experimentally measured data on biomolecules: a review
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2016)

Protein structures from NMR data
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (1992)

Molecular dynamics simulation of human interleukin-4: comparison with NMR data and effect of pH, counterions and force field on tertiary structure stability
Yazar:: Winger, M, ve diğerleri
Baskı/Yayın Bilgisi: (2007)

Prediction of NMR J-coupling in condensed matter
Yazar:: Green, T
Baskı/Yayın Bilgisi: (2014)

Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions, and global changes.
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (1995)

The near-symmetry of protein oligomers: NMR-derived structures
Yazar:: Maayan Bonjack, ve diğerleri
Baskı/Yayın Bilgisi: (2020-05-01)

Prediction of NMR J-coupling in solids with the planewave pseudopotential approach.
Yazar:: Yates, JR
Baskı/Yayın Bilgisi: (2010)

Molecular dynamics simulations of human alpha-lactalbumin: changes to the structural and dynamical properties of the protein at low pH.
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (1999)

J-coupling NMR spectroscopy with nitrogen vacancy centers at high fields
Yazar:: Pol Alsina-Bolívar, ve diğerleri
Baskı/Yayın Bilgisi: (2024-10-01)

Protein NMR structures refined without NOE data.
Yazar:: Hyojung Ryu, ve diğerleri
Baskı/Yayın Bilgisi: (2014-01-01)

Molecular dynamics simulations of barley and maize lipid transfer proteins show different ligand binding preferences in agreement with experimental data.
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2013)

The Temperature Dependence of Hydrogen Bonds Is More Uniform in Stable Proteins: An Analysis of NMR <sup>h3</sup>J<sub>NC′</sub> Couplings in Four Different Protein Structures
Yazar:: Andrei T. Alexandrescu, ve diğerleri
Baskı/Yayın Bilgisi: (2024-06-01)

NMR structural and functional studies of the mithochondrial outer membrane protein VDAC by Thomas J. Malia.
Yazar:: Malia, Thomas J., 1977-
Baskı/Yayın Bilgisi: (2007)

REDCRAFT: A computational platform using residual dipolar coupling NMR data for determining structures of perdeuterated proteins in solution.
Yazar:: Casey A Cole, ve diğerleri
Baskı/Yayın Bilgisi: (2021-02-01)

NMR and protein dynamics
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (1996)

Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data
Yazar:: Allison, JR, ve diğerleri
Baskı/Yayın Bilgisi: (2012)

Characterization of the flexible lip regions in bacteriophage lambda lysozyme using MD simulations
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2015)

NMR of Paramagnetic Proteins: <sup>13</sup>C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution
Yazar:: Leonardo Querci, ve diğerleri
Baskı/Yayın Bilgisi: (2023-02-01)

Molecular dynamics simulations of Hydrogenobacter thermophilus cytochrome c552: comparisons of the wild-type protein, a b-type variant, and the apo state.
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2006)

Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state.
Yazar:: Joyce, SA, ve diğerleri
Baskı/Yayın Bilgisi: (2008)

High-resolution (19)F MAS NMR spectroscopy: structural disorder and unusual J couplings in a fluorinated hydroxy-silicate.
Yazar:: Griffin, J, ve diğerleri
Baskı/Yayın Bilgisi: (2010)

Resolving Entangled <i>J</i><sub>H-H</sub>-Coupling Patterns for Steroidal Structure Determinations by NMR Spectroscopy
Yazar:: Danni Wu, ve diğerleri
Baskı/Yayın Bilgisi: (2021-04-01)

Data supporting beta-amyloid dimer structural transitions and protein–lipid interactions on asymmetric lipid bilayer surfaces using MD simulations on experimentally derived NMR protein structures
Yazar:: Sara Y. Cheng, ve diğerleri
Baskı/Yayın Bilgisi: (2016-06-01)

NMR Methods for Structural Characterization of Protein-Protein Complexes
Yazar:: Jeffrey A. Purslow, ve diğerleri
Baskı/Yayın Bilgisi: (2020-01-01)

G-protein-coupled receptor structure, ligand binding and activation as studied by solid-state NMR spectroscopy.
Yazar:: Ding, X, ve diğerleri
Baskı/Yayın Bilgisi: (2013)

Structural Information from Solid-State NMR
Yazar:: Beat H. Meier
Baskı/Yayın Bilgisi: (1994-03-01)

Multiple binding modes for palmitate to barley lipid transfer protein facilitated by the presence of proline 12.
Yazar:: Smith, L, ve diğerleri
Baskı/Yayın Bilgisi: (2013)

Ensemble-Based Interpretations of NMR Structural Data to Describe Protein Internal Dynamics
Yazar:: Annamária F. Ángyán, ve diğerleri
Baskı/Yayın Bilgisi: (2013-08-01)

Structural Proteomics: Methods in Deriving Protein Structural Information and Issues in Data Management
Yazar:: Shankari E. Mylvaganam, ve diğerleri
Baskı/Yayın Bilgisi: (2002-03-01)

The Temperature Dependence of Hydrogen Bonds Is More Uniform in Stable Proteins: An Analysis of NMR h3JNC′ Couplings in Four Different Protein Structures
Yazar:: Alexandrescu, Andrei T., ve diğerleri
Baskı/Yayın Bilgisi: (2024)