Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution.
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2D-IR experiments and simulations of the coupling between amide-I and ionizable side chains in proteins: application to the Villin headpieceA fluctuating quantum model of the CO vibration in carboxyhemoglobin.Visualizing KcsA conformational changes upon ion binding by infrared spectroscopy and atomistic modeling.Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulationsParallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation.The dynamics of peptide-water interactions in dialanine: An ultrafast amide I 2D IR and computational spectroscopy study.Application of two-dimensional infrared spectroscopy to benchmark models for the amide I band of proteins.Distinguishing gramicidin D conformers through two-dimensional infrared spectroscopy of vibrational excitons.Development and validation of transferable amide I vibrational frequency maps for peptides.Isotope-enriched protein standards for computational amide I spectroscopy.Nonlinear response of vibrational excitons: simulating the two-dimensional infrared spectrum of liquid water.Sulfoxide stretching mode as a structural reporter via dual-frequency two-dimensional infrared spectroscopy.Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water.Quantum decoherence in finite size exciton-phonon systems.Simple Quantum Dynamics with Thermalization.Vibrational ladder climbing in carboxy-hemoglobin: effects of the protein environment.Hydrophobic Collapse in N-methylacetamide-Water Mixtures.Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline.Redistribution of carbonyl stretch mode energy in isolated and solvated N-methylacetamide: kinetic energy spectral density analyses.Excitonic effects in two-dimensional vibrational spectra of liquid formamide.
P2860
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P2860
Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution.
description
2008 nî lūn-bûn
@nan
2008年の論文
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2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
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2008年學術文章
@zh-hant
name
Simulation of vibrational ener ...... nd amide II modes in solution.
@en
Simulation of vibrational ener ...... nd amide II modes in solution.
@nl
type
label
Simulation of vibrational ener ...... nd amide II modes in solution.
@en
Simulation of vibrational ener ...... nd amide II modes in solution.
@nl
prefLabel
Simulation of vibrational ener ...... nd amide II modes in solution.
@en
Simulation of vibrational ener ...... nd amide II modes in solution.
@nl
P2093
P2860
P356
P1476
Simulation of vibrational ener ...... nd amide II modes in solution.
@en
P2093
Arend G Dijkstra
Jasper Knoester
Thomas la Cour Jansen
P2860
P304
P356
10.1063/1.2961020
P407
P577
2008-08-01T00:00:00Z