Nonadiabatic effects in the two-dimensional infrared spectra of peptides: application to alanine dipeptide.
about
Hofmeister anionic effects on hydration electric fields around water and peptide.Transient 2D IR spectroscopy of ubiquitin unfolding dynamicsSolution structures of rat amylin peptide: simulation, theory, and experiment.Simulation of four-wave mixing signals by a perturbative approach: application to ultrafast two-dimensional infrared spectroscopy.Probing the folding of mini-protein Beta3s by two-dimensional infrared spectroscopy; simulation study.2D-IR experiments and simulations of the coupling between amide-I and ionizable side chains in proteins: application to the Villin headpiecepH-Independence of trialanine and the effects of termini blocking in short peptides: a combined vibrational, NMR, UVCD, and molecular dynamics studyTwo-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins.Empirical maps for the calculation of amide I vibrational spectra of proteins from classical molecular dynamics simulations.From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complexTheory and Simulation of the Environmental Effects on FMO Electronic Transitions.Structural disorder of folded proteins: isotope-edited 2D IR spectroscopy and Markov state modeling.Juxtaposing density matrix and classical path-based wave packet dynamics.Parallel 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.Electrostatic frequency shifts in amide I vibrational spectra: direct parameterization against experiment.Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation.Refining Disordered Peptide Ensembles with Computational Amide I Spectroscopy: Application to Elastin-Like PeptidesOn the calculation of rotational anisotropy decay, as measured by ultrafast polarization-resolved vibrational pump-probe experiments.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.Two-dimensional infrared spectroscopy of neat ice Ih.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.Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide.Infrared signatures of the peptide dynamical transition: a molecular dynamics simulation study.Probing intermolecular couplings in liquid water with two-dimensional infrared photon echo spectroscopy.Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.Time-averaging approximation in the interaction picture: anisotropy of vibrational pump-probe experiments for coupled chromophores with application to liquid water.Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution.Linear absorbance of the pheophorbide-a butanediamine dendrimer P(4) in solution: computational studies using a mixed quantum classical methodology.Vibrational relaxation in simulated two-dimensional infrared spectra of two amide modes in solution.Nonadiabatic effects in electronic and nuclear dynamics.Spectral line shapes in linear absorption and two-dimensional spectroscopy with skewed frequency distributions.Hydrophobic Collapse in N-methylacetamide-Water Mixtures.Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants.Surface hopping modeling of two-dimensional spectra.Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline.Excitonic effects in two-dimensional vibrational spectra of liquid formamide.How Van der Waals Interactions Influence the Absorption Spectra of Pheophorbide a Complexes: A Mixed Quantum-Classical Study.
P2860
Q30414807-4FF0137E-7D23-473F-AF8A-351DEBA3B3A3Q33286786-044FFC14-F9B2-4D8F-ABB4-1D8576A6480DQ33530251-122E1E71-313A-4750-ADA8-E52070F95D5BQ33612678-C4257DA1-A65A-48D9-B51D-B24FEA572F6BQ33777257-82704095-EEE4-4280-BAA9-440E8C45C482Q33819355-3B4E5BDA-D042-4D72-950E-CDED3B91488EQ34601824-81195B6E-DDDD-46F8-8DD5-75826C6F2755Q34709477-184F9551-97FA-42B4-B1D0-B741B2689F32Q35049026-1EE68911-9752-4454-B39F-00CB1B800364Q35117329-E0E6F709-772B-49C4-A4D7-593CFB391414Q35130811-33EF2451-3719-4A7C-A3B8-ECBA42F0BF74Q35333283-CC4B2E63-4C5E-4E16-9951-D947586003A2Q36038025-FD28FA97-66F3-4492-858D-8B21E9F293CFQ36469264-762BD397-47EB-4E6F-AA25-1ABE1D1E6DAAQ36780728-7161A540-B25E-4561-98E6-6722554E8BFEQ37286706-B9D0E660-342A-48AE-A22B-B7C48B343A07Q37645892-72D6136D-B2DF-47E1-B905-BE37C9967A23Q38429819-F411C27F-8DEF-4EDB-B59B-2875E931D3E4Q38597666-D396635E-D273-47E0-9993-3E752521B00AQ38998615-91485D6B-F482-4B4C-A887-D9ECA37EA1C8Q40109332-C91253C5-5DAD-4C07-8B88-BF06F2FCD3C4Q40935469-5B1B0E51-A42D-4363-B08B-7E3926E0A42CQ41125869-B85C2BB6-6C78-4F13-996E-460CC3471E53Q41867751-D593002E-DA14-47F1-8ECC-B75EFCBF857BQ42216394-85AF1BB7-C3C4-456F-8D9A-9B88458405C9Q42962794-3194BE53-D2A4-406E-ADD0-8E2966DF8030Q43143041-79B881F8-3216-40F2-B754-0CF41BB03B5EQ43265121-C3B8DB95-0BAD-4C9B-84B0-66D3DA7CC8EDQ45203150-163DADA0-3A87-432F-8B50-0C94B3A6668BQ46432443-DBD72B08-70F9-4CD6-87D9-D87A8B7C646BQ46629685-226C5DC6-9E06-4027-B711-E3198411D2B2Q46884311-D3128026-2D19-4355-9695-20ACFD35AAB8Q47555629-385144F5-335A-49A0-BB2F-C18564DF2B61Q48234840-533F985E-FCC1-4FC1-AB4F-CAFB92EBE6CBQ50098282-5129F05F-2D56-4240-A044-D21EA508DED8Q51010880-F48E4634-2543-4E9B-994B-1917CE1A7369Q51223636-EB7C2990-72B0-4EF1-9E6D-0EDABC7953D2Q51466594-CD2D5822-BBF1-471C-8860-B8F56CD7F4EFQ51568740-1D5D2E56-B241-4E77-864C-EE7AB30E4AD2Q51577724-2501F627-2A49-45BE-8C0C-1A3751295869
P2860
Nonadiabatic effects in the two-dimensional infrared spectra of peptides: application to alanine dipeptide.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@en
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@nl
type
label
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@en
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@nl
prefLabel
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@en
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@nl
P356
P1476
Nonadiabatic effects in the tw ...... lication to alanine dipeptide.
@en
P2093
Jasper Knoester
Thomas la Cour Jansen
P304
22910-22916
P356
10.1021/JP064795T
P407
P577
2006-11-01T00:00:00Z