Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study (Q36930768)

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17 January 2020

title

Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study (English)

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1

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4

Shaul Mukamel

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17 January 2020

2

Darius Abramavicius

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17 January 2020

author name string

Wei Zhuang

series ordinal

3

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publication date

1 November 2007

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17 January 2020

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volume

341

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issue

1-3

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17 January 2020

page(s)

29-36

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

17 January 2020

cites work

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First-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.

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A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy

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Dissecting coherent vibrational spectra of small proteins into secondary structural elements by sensitivity analysis

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UV Raman demonstrates that alpha-helical polyalanine peptides melt to polyproline II conformations

29 September 2017

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Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons

29 September 2017

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Transient UV Raman spectroscopy finds no crossing barrier between the peptide alpha-helix and fully random coil conformation

29 September 2017

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29 September 2017

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Two-dimensional infrared spectroscopy of peptides by phase-controlled femtosecond vibrational photon echoes

29 September 2017

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Calculations of the CD spectrum of bovine pancreatic ribonuclease.

29 September 2017

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Charge-transfer transitions in protein circular dichroism calculations.

27 June 2018

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Electrostatic DFT map for the complete vibrational amide band of NMA.

4 September 2018

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UV-resonance raman thermal unfolding study of Trp-cage shows that it is not a simple two-state miniprotein

4 September 2018

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

4 September 2018

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A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

4 September 2018

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Improved Calculation of the nπ* Rotational Strength in Polypeptides

4 September 2018

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Modeling the amide I bands of small peptides

4 September 2018

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12 December 2020

Hydrogen bond dynamics probed with ultrafast infrared heterodyne-detected multidimensional vibrational stimulated echoes

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12 December 2020

Direct UV Raman monitoring of 3(10)-helix and pi-bulge premelting during alpha-helix unfolding

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12 December 2020

Circular Dichroism and Conformational Dynamics of Cephams and Their Carba and Oxa Analogues

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Rotatory properties of molecules containing two peptide groups: theory

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10.1016/J.CHEMPHYS.2007.03.029

Identifiers

DOI

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17 January 2020

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17 January 2020

PubMed publication ID

19011677

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