(Q47253720)

12 January 2018

title

Chemical shifts in nucleic acids studied by density functional theory calculations and comparison with experiment (English)

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12 January 2018

density functional theory

main subject

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2

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12 January 2018

Jirí Sponer

6

object named as

Jiří Šponer

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12 January 2018

Judith M Fonville

1

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12 January 2018

Zuzana Vokáčová

3

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12 January 2018

Vladimír Sychrovský

4

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12 January 2018

Judit E Šponer

5

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12 January 2018

Cornelis W Hilbers

7

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12 January 2018

F Matthias Bickelhaupt

8

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12 January 2018

Sybren S Wijmenga

9

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12 January 2018

language of work or name

English

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publication date

16 August 2012

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12 January 2018

Chemistry—A European Journal

published in

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12 January 2018

volume

18

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12 January 2018

issue

39

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12 January 2018

page(s)

12372-12387

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12 January 2018

Resonance assignment and structure determination for RNA.

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21 January 2018

NMR spectroscopy of RNA.

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NMR studies of dynamics in RNA and DNA by 13C relaxation

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Dynamics-based amplification of RNA function and its characterization by using NMR spectroscopy

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Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy

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Molecular interactions investigated by multi-dimensional solid-state NMR.

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New tools provide new insights in NMR studies of protein dynamics

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Nuclear magnetic resonance spectroscopy of high-molecular-weight proteins.

21 January 2018

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Mapping protein-protein interactions in solution by NMR spectroscopy

21 January 2018

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

21 January 2018

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Characterization of protein secondary structure from NMR chemical shifts

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Protein structure determination from NMR chemical shifts

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Molecular fragment replacement approach to protein structure determination by chemical shift and dipolar homology database mining.

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De novo protein structure generation from incomplete chemical shift assignments.

21 January 2018

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Consistent blind protein structure generation from NMR chemical shift data

21 January 2018

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CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

21 January 2018

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Prediction of proton chemical shifts in RNA. Their use in structure refinement and validation.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Use of chemical shifts for structural studies of nucleic acids.

21 January 2018

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Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymine.

21 January 2018

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Nuclear Shieldings with the SSB-D Functional

21 January 2018

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NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination.

21 January 2018

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Determination of the glycosidic torsion angles in uniformly 13C-labeled nucleic acids from vicinal coupling constants 3J(C2)/4-H1' and 3J(C6)/8-H1'.

21 January 2018

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Structural interpretation of J coupling constants in guanosine and deoxyguanosine: modeling the effects of sugar pucker, backbone conformation, and base pairing.

21 January 2018

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Quantitative gamma-HCNCH: determination of the glycosidic torsion angle chi in RNA oligonucleotides from the analysis of CH dipolar cross-correlated relaxation by solution NMR spectroscopy.

21 January 2018

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Determination of the glycosidic bond angle chi in RNA from cross-correlated relaxation of CH dipolar coupling and N chemical shift anisotropy.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

High-resolution NMR structure of an RNA model system: the 14-mer cUUCGg tetraloop hairpin RNA

21 January 2018

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Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Quantum mechanical calculations of NMR chemical shifts in nucleic acids

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Dependence of 13C NMR chemical shifts on conformations of rna nucleosides and nucleotides

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

Calculation of 13C chemical shifts in rna nucleosides: structure-13C chemical shift relationships

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Optimization of strong and weak coordinates

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Effect of local sugar and base geometry on 13C and 15N magnetic shielding anisotropy in DNA nucleosides

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Experiments for correlating quaternary carbons in RNA bases.

21 January 2018

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The apical stem-loop of the hepatitis B virus encapsidation signal folds into a stable tri-loop with two underlying pyrimidine bulges

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Conserved nucleotides in an RNA essential for hepatitis B virus replication show distinct mobility patterns

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

Thermodynamics and NMR studies on Duck, Heron and Human HBV encapsidation signals

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

The unstable part of the apical stem of duck hepatitis B virus epsilon shows enhanced base pair opening but not pico- to nanosecond dynamics and is essential for reverse transcriptase binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

Influence of the 2'-hydroxyl group conformation on the stability of A-form helices in RNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

Assignment and NOE analysis of 2'-hydroxyl protons in RNA: implications for stabilization of RNA A-form duplexes

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Telomere structure and stability: covalency in hydrogen bonds, not resonance assistance, causes cooperativity in guanine quartets.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

The crystal structure of UUCG tetraloop

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Mutations linked to dyskeratosis congenita cause changes in the structural equilibrium in telomerase RNA.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Optimized Slater-type basis sets for the elements 1-118.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Accuracy of geometries: influence of basis set, exchange?correlation potential, inclusion of core electrons, and relativistic corrections

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Performance of various density functionals for the hydrogen bonds in DNA base pairs

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

DNA nucleosides and their radical anions: molecular structures and electron affinities

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Multicomponent synthesis of 2-imidazolines.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Proton Affinities in Water of Maingroup-Element Hydrides – Effects of Hydration and Methyl Substitution

21 January 2018

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https://api.crossref.org/works/10.1002%2FCHEM.201103593

Heteronuclear multidimensional NMR experiments for the structure determination of proteins in solution employing pulsed field gradients

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

Determination of the Conformation of the 2′OH Group in RNA by NMR Spectroscopy and DFT Calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103593

21 January 2018

Identifiers

DOI

10.1002/CHEM.201103593

1 reference

12 January 2018

PubMed ID

22899588

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12 January 2018