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

  • Author(s): Ren, Hao
  • Lai, Zaizhi
  • Biggs, Jason D
  • Wang, Jin
  • Mukamel, Shaul
  • et al.
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 α-helix formation.

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