Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability. (Q34428515)

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13 January 2020

title

Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability (English)

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2

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author name string

Roman D Gorbunov

series ordinal

1

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13 January 2020

Gerhard Stock

series ordinal

3

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language of work or name

English

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publication date

1 June 2005

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Journal of Chemical Physics

13 January 2020

published in

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volume

122

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issue

22

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13 January 2020

page(s)

224904

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Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins

13 January 2020

cites work

1 reference

Dihedral angles of trialanine in D2O determined by combining FTIR and polarized visible Raman spectroscopy

21 January 2018

1 reference

Tripeptides adopt stable structures in water. A combined polarized visible Raman, FTIR, and VCD spectroscopy study

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The conformation of tetraalanine in water determined by polarized Raman, FT-IR, and VCD spectroscopy

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Preferred peptide backbone conformations in the unfolded state revealed by the structure analysis of alanine-based (AXA) tripeptides in aqueous solution

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Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy

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Two-dimensional IR spectroscopy can be designed to eliminate the diagonal peaks and expose only the crosspeaks needed for structure determination

21 January 2018

1 reference

Subpicosecond conformational dynamics of small peptides probed by two-dimensional vibrational spectroscopy

21 January 2018

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The origin of vibrational mode couplings in various secondary structural motifs of polypeptides

21 January 2018

1 reference

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21 January 2018

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Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches

21 January 2018

1 reference

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

21 January 2018

1 reference

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

21 January 2018

1 reference

Role of solvent in determining conformational preferences of alanine dipeptide in water.

21 January 2018

1 reference