(Q42423890)

30 October 2017

Decomposition of vibrational shifts of nitriles into electrostatic and hydrogen-bonding effects (English)

1 reference

30 October 2017

1

1 reference

30 October 2017

2

1 reference

30 October 2017

4

Steven G Boxer

1 reference

30 October 2017

Daniel Herschlag

3

1 reference

PMC publication ID

2943212

30 October 2017

language of work or name

English

0 references

publication date

1 September 2010

1 reference

Journal of the American Chemical Society

30 October 2017

1 reference

30 October 2017

132

1 reference

30 October 2017

37

1 reference

30 October 2017

12811-12813

1 reference

Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water

30 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Cyanylated Cysteine: A Covalently Attached Vibrational Probe of Protein-Lipid Contacts

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Hydrogen Bond Coupling in the Ketosteroid Isomerase Active Site

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

FTIR analysis of GPCR activation using azido probes.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Carbon-deuterium bonds as probes of dihydrofolate reductase

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Do ligand binding and solvent exclusion alter the electrostatic character within the oxyanion hole of an enzymatic active site?

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Site-specific conversion of cysteine thiols into thiocyanate creates an IR probe for electric fields in proteins

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Electric fields at the active site of an enzyme: direct comparison of experiment with theory.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Binding of 2-naphthols to D38E mutants of 3-oxo-Delta 5-steroid isomerase: variation of ligand ionization state with the nature of the electrophilic component

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

High-resolution crystal structures of delta5-3-ketosteroid isomerase with and without a reaction intermediate analogue

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Structural determinants of the stretching frequency of CO bound to myoglobin

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

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

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

13C NMR of cyanylated flavodoxin from Megasphaera elsdenii and of thiocyanate model compounds

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Probing hydrogen bonding environments: solvatochromic effects on the CN vibration of benzonitrile

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Nitrile and thiocyanate IR probes: quantum chemistry calculation studies and multivariate least-square fitting analysis.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Vibrational Stark effects calibrate the sensitivity of vibrational probes for electric fields in proteins

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

Using nitrile-derivatized amino acids as infrared probes of local environment

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

The catalytic power of ketosteroid isomerase investigated by computer simulation

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2943212

A test of the role of electrostatic interactions in determining the CO stretch frequency in carbonmonoxymyoglobin

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20806897

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JA104573B

1 reference

30 October 2017

1 reference

PMC publication ID

2943212

30 October 2017

PubMed publication ID

20806897

1 reference

PMC publication ID

2943212