(Q36511728)

English

J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space

scientific article published on 6 September 2011

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scholarly article

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12 February 2020

J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space (English)

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12 February 2020

density functional theory

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1

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12 February 2020

author name string

I-Hsien Midas Tsai

2

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12 February 2020

J J Dannenberg

3

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12 February 2020

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6 September 2011

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12 February 2020

Physical Chemistry Chemical Physics

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12 February 2020

13

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12 February 2020

39

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12 February 2020

17484-17493

1 reference

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12 February 2020

Correlation of (2)J couplings with protein secondary structure.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Distribution of conformations sampled by the central amino acid residue in tripeptides inferred from amide I band profiles and NMR scalar coupling constants

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Structures, basins, and energies: a deconstruction of the Protein Coil Library.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Structural dependencies of protein backbone 2JNC' couplings

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Protein Backbone 1H(N)-13Calpha and 15N-13Calpha residual dipolar and J couplings: new constraints for NMR structure determination

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Polyproline II structure in a sequence of seven alanine residues.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538093

30 September 2017

Correlations among (1)J(NC)' and (h3)J(NC)' coupling constants in the hydrogen-bonding network of human ubiquitin.

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Structure determination of a flexible cyclic peptide based on NMR and MD simulation 3J-coupling.

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Determination of backbone nitrogen-nitrogen J correlations in proteins.

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solution

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Local helix content in an alanine-rich peptide as determined by the complete set of 3JHN alpha coupling constants.

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Contact Electron‐Spin Coupling of Nuclear Magnetic Moments

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Accurate prediction of protein torsion angles using chemical shifts and sequence homology

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Determination of ψ Torsion Angle Restraints from3J(Cα,Cα) and3J(Cα,HN) Coupling Constants in Proteins

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Structure and Dynamics of the Homologous Series of Alanine Peptides: A Joint Molecular Dynamics/NMR Study

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Structural dynamics of protein backbone φ angles: extended molecular dynamics simulations versus experimental 3 J scalar couplings

1 reference

https://api.crossref.org/works/10.1039%2FC1CP20520J

21 January 2018

Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study

1 reference

https://pubmed.ncbi.nlm.nih.gov/21897927

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

J-GFT NMR for precise measurement of mutually correlated nuclear spin-spin couplings

1 reference

https://pubmed.ncbi.nlm.nih.gov/21897927

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A protein backbone psi and phi angle dependence of 2J(N(i),C alpha(i-1)): the new NMR experiment and quantum chemical calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/21897927

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1039/C1CP20520J

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21897927%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

release_h6owbm62ajcjljzp6rwclrjosm

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https://api.fatcat.wiki/v0/release/h6owbm62ajcjljzp6rwclrjosm

24 November 2022

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mapped directly with Wikidata item

PMC publication ID

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21897927%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21897927%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

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