Predicting 13Calpha chemical shifts for validation of protein structures. (Q51626387)

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scientific article published on 9 June 2007

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English	Predicting 13Calpha chemical shifts for validation of protein structures.	scientific article published on 9 June 2007

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scholarly article

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

title

Predicting 13Calpha chemical shifts for validation of protein structures. (English)

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

author

Héctor A. Baldoni

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3

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

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http://europepmc.org/abstract/MED/17558470

Harold A. Scheraga

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4

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Harold A Scheraga

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

author name string

Jorge A Vila

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1

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

Myriam E Villegas

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2

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

publication date

9 June 2007

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Europe PubMed Central

PubMed publication ID

17558470

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8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

published in

Journal of Biomolecular NMR

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Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

volume

38

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Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

issue

3

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Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

page(s)

221-235

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Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

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1H, 13C and 15N chemical shift referencing in biomolecular NMR

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

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Who checks the checkers? Four validation tools applied to eight atomic resolution structures. EU 3-D Validation Network

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PubMed

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Effects of side-chain orientation on the 13C chemical shifts of antiparallel beta-sheet model peptides

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Simultaneous determination of protein structure and dynamics.

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Main-chain conformational features at different conformations of the side-chains in proteins.

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An assessment of the precision and accuracy of protein structures determined by NMR. Dependence on distance errors.

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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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Interpretation of chemical shifts and coupling constants in macromolecules

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Estimating the accuracy of protein structures using residual dipolar couplings

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

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Stereochemical quality of protein structure coordinates

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Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains

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Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach

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A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: mixed basis set and ONIOM methods combined with a complete basis set extrapolation

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Quality assessment of NMR structures: a statistical survey

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

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Unblocked statistical-coil tetrapeptides and pentapeptides in aqueous solution: a theoretical study

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Identifiers

DOI

10.1007/S10858-007-9162-X

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Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

PubMed publication ID

17558470

1 reference

stated in

Europe PubMed Central

PubMed publication ID

17558470

retrieved

8 April 2018

reference URL

http://europepmc.org/abstract/MED/17558470

 

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