(Q34199813)

31 July 2017

Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts (English)

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31 July 2017

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David S Wishart

4

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author name string

Stephen Neal

series ordinal

1

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31 July 2017

Alex M Nip

series ordinal

2

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31 July 2017

Haiyan Zhang

series ordinal

3

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31 July 2017

1 July 2003

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Journal of Biomolecular NMR

31 July 2017

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31 July 2017

26

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31 July 2017

215-240

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31 July 2017

3

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https://scigraph.springernature.com/pub.10.1023/a:1023812930288

31 July 2017

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cites work

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Protein phi and psi dihedral restraints determined from multidimensional hypersurface correlations of backbone chemical shifts and their use in the determination of protein tertiary structures

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Protein backbone angle restraints from searching a database for chemical shift and sequence homology

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Application of 1H NMR chemical shifts to measure the quality of protein structures

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12 December 2020

The use of chemical shifts and their anisotropies in biomolecular structure determination

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RefDB: a database of uniformly referenced protein chemical shifts

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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

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Automated prediction of 15N, 13Calpha, 13Cbeta and 13C' chemical shifts in proteins using a density functional database

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C alpha and C beta carbon-13 chemical shifts in proteins from an empirical database

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A method for the calculation of protein alpha-CH chemical shifts.

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Chemical shifts as a tool for structure determination

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Quality assessment of NMR structures: a statistical survey.

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12 December 2020

Relationship between nuclear magnetic resonance chemical shift and protein secondary structure

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12 December 2020

Temperature dependence of 1H chemical shifts in proteins

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12 December 2020

A relational database for sequence-specific protein NMR data

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12 December 2020

1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

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The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

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The impact of direct refinement against proton chemical shifts on protein structure determination by NMR.

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12 December 2020

Statistical thermodynamic analysis of peptide and protein insertion into lipid membranes

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AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR

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Use of chemical shifts in macromolecular structure determination

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Global Folds of Highly Deuterated, Methyl-Protonated Proteins by Multidimensional NMR†

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Pseudocontact shifts as constraints for energy minimization and molecular dynamics calculations on solution structures of paramagnetic metalloproteins.

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Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraints

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12 December 2020

Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

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12 December 2020

The occurrence of C-H...O hydrogen bonds in proteins

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12 December 2020

Probing multiple effects on 15N, 13C alpha, 13C beta, and 13C' chemical shifts in peptides using density functional theory

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12 December 2020

Protein chemical shift analysis: a practical guide

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12 December 2020

Complete 1H, 13C and 15N backbone assignments for the hepatitis A virus 3C protease

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12 December 2020

Analysis of proton chemical shifts in regular secondary structure of proteins

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12 December 2020

Identifiers

DOI

10.1023/A:1023812930288

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Dimensions Publication ID

31 July 2017

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