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Two-dimensional stimulated resonance Raman spectroscopy study of the Trp-cage peptide folding.

ABSTRACT: We report a combined molecular dynamics (MD) and ab initio simulation study of the ultrafast broadband ultraviolet (UV) stimulated resonance Raman (SRR) spectra of the Trp-cage mini protein. Characteristic two dimensional (2D) SRR features of various folding states are identified. Structural fluctuations erode the cross peaks and the correlation between diagonal peaks is a good indicator of the ?-helix formation.

SUBMITTER: Ren H 

PROVIDER: S-EPMC3859311 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Two-dimensional stimulated resonance Raman spectroscopy study of the Trp-cage peptide folding.

Ren Hao H   Lai Zaizhi Z   Biggs Jason D JD   Wang Jin J   Mukamel Shaul S  

Physical chemistry chemical physics : PCCP 20131101 44

We report a combined molecular dynamics (MD) and ab initio simulation study of the ultrafast broadband ultraviolet (UV) stimulated resonance Raman (SRR) spectra of the Trp-cage mini protein. Characteristic two dimensional (2D) SRR features of various folding states are identified. Structural fluctuations erode the cross peaks and the correlation between diagonal peaks is a good indicator of the α-helix formation. ...[more]

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