Amide I modes of tripeptides: Hessian matrix reconstruction and isotope effects
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 119, Issue: 3, Page: 1451-1461
2003
- 127Citations
- 45Captures
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Article Description
Seven representative tripeptide conformations were considered and ab initio vibrational analyses were carried out. Two different Hessian matrix reconstruction methods were proposed. It was found that the diagonal force constants of the three peptides in one of the four helical conformations were typically larger than those of β-sheet tripeptide conformations.
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