Amide I modes of tripeptides: Hessian matrix reconstruction and isotope effects

Sihyun Ham, Sangyob Cha, Jun H. Choi, Minhaeng Cho

Research output: Contribution to journalArticle

111 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1451-1461
Number of pages11
JournalJournal of Chemical Physics
Volume119
Issue number3
DOIs
Publication statusPublished - 2003 Jul 15

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Hessian matrices
Amides
Isotopes
isotope effect
amides
peptides
Conformations
Peptides

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Amide I modes of tripeptides : Hessian matrix reconstruction and isotope effects. / Ham, Sihyun; Cha, Sangyob; Choi, Jun H.; Cho, Minhaeng.

In: Journal of Chemical Physics, Vol. 119, No. 3, 15.07.2003, p. 1451-1461.

Research output: Contribution to journalArticle

Ham, Sihyun ; Cha, Sangyob ; Choi, Jun H. ; Cho, Minhaeng. / Amide I modes of tripeptides : Hessian matrix reconstruction and isotope effects. In: Journal of Chemical Physics. 2003 ; Vol. 119, No. 3. pp. 1451-1461.
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