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

Sihyun Ham, Sangyob Cha, Jun Ho Choi, Minhaeng Cho

Research output: Contribution to journalArticle

115 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

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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