(Q46067348)

19 December 2017

title

Carbon-deuterium vibrational probes of peptide conformation: alanine dipeptide and glycine dipeptide (English)

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19 December 2017

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C S Miller

1

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19 December 2017

E A Ploetz

series ordinal

2

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19 December 2017

M E Cremeens

series ordinal

3

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19 December 2017

S A Corcelli

series ordinal

4

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19 December 2017

language of work or name

English

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publication date

1 March 2009

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19 December 2017

Journal of Chemical Physics

published in

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19 December 2017

volume

130

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19 December 2017

issue

12

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19 December 2017

page(s)

125103

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19 December 2017

Application and limitations of X-ray crystallographic data in structure-based ligand and drug design

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Nature of vibrational coupling in helical peptides: an isotopic labeling study

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Correlations among morphology, beta-sheet stability, and molecular structure in prion peptide aggregates

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Experimental evidence for the reorganization of beta-strands within aggregates of the Abeta(16-22) peptide.

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Intersheet rearrangement of polypeptides during nucleation of {beta}-sheet aggregates

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IR study of cross-strand coupling in a beta-hairpin peptide using isotopic labels

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Empirical relationships between isotope-edited IR spectra and helix geometry in model peptides

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Spectroscopic evidence for backbone desolvation of helical peptides by 2,2,2-trifluoroethanol: an isotope-edited FTIR study

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Conformational mapping of the N-terminal peptide of HIV-1 gp41 in lipid detergent and aqueous environments using 13C-enhanced Fourier transform infrared spectroscopy

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Vibrational coupling, isotopic editing, and beta-sheet structure in a membrane-bound polypeptide

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Location of structural transitions in an isotopically labeled lung surfactant SP-B peptide by IRRAS.

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Impact of four (13)C-proline isotope labels on the infrared spectra of ribonuclease T1.

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Probing the effect of side chains on the conformation and stability of helical peptides via isotope-edited infrared spectroscopy

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Analysis of the segmental stability of helical peptides by isotope-edited infrared spectroscopy

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Local structure of beta-hairpin isotopomers by FTIR, 2D IR, and ab initio theory

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Conformational preferences and vibrational frequency distributions of short peptides in relation to multidimensional infrared spectroscopy

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Sulfhydryl groups in hemoglobin. New molecular probe at the α1β1 interface studied by Fourier transform infrared spectroscopy

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2D-IR spectroscopy of the sulfhydryl band of cysteines in the hydrophobic core of proteins

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Bond connectivity measured via relaxation-assisted two-dimensional infrared spectroscopy.

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Protein dynamics and cytochrome c: correlations between ligand vibrations and redox activity

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Direct observation of protein vibrations by selective incorporation of spectroscopically observable carbon-deuterium bonds in cytochrome c.

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Peptide C(alpha)D(alpha) stretch frequencies in a hydrated conformation are perturbed mainly by C(alpha)-D(alpha)...O hydrogen bonding

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C-deuterated alanine: a new label to study membrane protein structure using site-specific infrared dichroism.

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Electrostatic fields near the active site of human aldose reductase: 1. New inhibitors and vibrational stark effect measurements

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

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

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Fast enzyme dynamics at the active site of formate dehydrogenase

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Beta-azidoalanine as an IR probe: application to amyloid Abeta(16-22) aggregation.

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Correlation of the vibrations of the aqueous azide ion with the O-H modes of bound water molecules.

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Protein fluctuations are sensed by stimulated infrared echoes of the vibrations of carbon monoxide and azide probes.

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Chemical exchange 2D IR of hydrogen-bond making and breaking

21 January 2018

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Comparison of linear and 2D IR spectra in the presence of fast exchange

21 January 2018

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Dual-frequency 2D IR on interaction of weak and strong IR modes.

21 January 2018

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A relaxation-assisted 2D IR spectroscopy method

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

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Nitrile and thiocyanate IR probes: molecular dynamics simulation studies.

21 January 2018

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Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

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Structure validation by Calpha geometry: phi,psi and Cbeta deviation

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

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Study of nonplanarity of peptide bond using theoretical calculations

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Empirical Predictions of Protein Conformation

21 January 2018

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Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water

21 January 2018

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21 January 2018

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Determination of conformational preferences of dipeptides using vibrational spectroscopy.

21 January 2018

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Intrinsic backbone preferences are fully present in blocked amino acids

21 January 2018

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Amide I two-dimensional infrared spectroscopy of β-hairpin peptides

21 January 2018

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The CN Stretching Band of Aliphatic Thiocyanate is Sensitive to Solvent Dynamics and Specific Solvation

21 January 2018

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Spectroscopy: Molecular motion pictures

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Charge migration in supramolecular stacks of peripherally substituted porphyrins

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21 January 2018

Identifiers

DOI

10.1063/1.3100185

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19 December 2017

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19 December 2017