Quantum chemical studies of protein structure (Q30351363)

16 October 2017

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title

Quantum chemical studies of protein structure (English)

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16 October 2017

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Eric Oldfield

1

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PMCID

1569496

16 October 2017

language of work or name

English

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publication date

1 June 2005

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Philosophical Transactions of the Royal Society B

16 October 2017

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16 October 2017

360

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16 October 2017

1458

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16 October 2017

1347-1361

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Interatomic Distances in Covalent Molecules and Resonance between Two or More Lewis Electronic Structures

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

The Shared-Electron Chemical Bond

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Configurations of Polypeptide Chains With Favored Orientations Around Single Bonds: Two New Pleated Sheets

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Stereochemistry of polypeptide chain configurations

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

The structure of collagen

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

3 June 2018

Structure of collagen

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Application of charge density methods to a protein model compound: calculation of Coulombic intermolecular interaction energies from the experimental charge density

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Quantum mechanical methods for enzyme kinetics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

In memoriam: Professor G.N. Ramachandran (1922-2001)

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

New developments in applying quantum mechanics to proteins.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Topological properties of the peptide bond in glycyl-L-threonine dihydrate based on a fast synchrotron/CCD-diffraction experiment at 100 K.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

A steric mechanism for inhibition of CO binding to heme proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Correlation between 15N NMR chemical shifts in proteins and secondary structure.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Natural-abundance carbon-13 nuclear magnetic resonance studies in 20-mm sample tubes. Numerous single-carbon resonances of hen egg-white lysozyme

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Determination of rotational mobilities of backbone and side-chain carbons of poly(gamma-benzyl L-glutamate) in the helical and random-coil states from measurements of carbon-13 relaxation times and nuclear Overhauser enhancements.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Comparison of the solution and crystal structures of staphylococcal nuclease with 13C and 15N chemical shifts used as structural fingerprints

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Distal and proximal ligand interactions in heme proteins: correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C17O- and

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1569496

Glycyl C(alpha) chemical shielding in tripeptides: measurement by solid-state NMR and correlation with X-ray structure and theory

3 June 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

An experimental and theoretical investigation of the chemical shielding tensors of (13)C(alpha) of alanine, valine, and leucine residues in solid peptides and in proteins in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Nuclear magnetic resonance shifts in paramagnetic metalloporphyrins and metalloproteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Carbon-13 NMR shielding in the twenty common amino acids: comparisons with experimental results in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Unblocked statistical-coil tetrapeptides in aqueous solution: quantum-chemical computation of the carbon-13 NMR chemical shifts.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Determination of calpha chemical shift tensor orientation in peptides by dipolar-modulated chemical shift recoupling NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Dynamic Effects onJ-Couplings Across Hydrogen Bonds in Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

Ab Initio Geometry Determinations of Proteins. 1. Crambin

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

21 January 2018

Structure of Collagen

1 reference

https://api.crossref.org/works/10.1098%2FRSTB.2003.1421

(57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations

21 January 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Assignment and analysis of fluorine nuclear magnetic resonance spectra of 4-fluorotryptophan myoglobins and hemoglobins

1 reference

12 December 2020

Proximity of two tryptophan residues in dihydrofolate reductase determined by 19F NMR

1 reference

12 December 2020

Mössbauer quadrupole splittings and electronic structure in heme proteins and model systems: a density functional theory investigation

1 reference

12 December 2020

Solution NMR characterization of hydrogen bonds in a protein by indirect measurement of deuterium quadrupole couplings

1 reference

12 December 2020

Identifiers

DOI

10.1098/RSTB.2003.1421

1 reference

16 October 2017

1 reference

16 October 2017

1 reference

PMCID

1569496