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- Shim, Ji Hyun, et al. Show all 6 Authors
- The Journal of physical chemistry 2016 v.120 no.24 pp. 5325-5339
- alanine; infrared spectroscopy; models; molecular dynamics; oligopeptides
- ... We have studied the structure of (Ala)₅, a model unfolded peptide, using a combination of 2D IR spectroscopy and molecular dynamics (MD) simulation. Two different isotopomers, each bis-labeled with ¹³CO and ¹³C¹⁸O, were strategically designed to shift individual site frequencies and uncouple neighboring amide-I′ modes. 2D IR spectra taken under the double-crossed ⟨π/4, –π/4, Y, Z⟩ polarization s ...
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