Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin

Jun Ho Choi, Sihyun Ham, Minhaeng Cho

Research output: Contribution to journalArticle

62 Citations (Scopus)

Abstract

A novel method combining the ab initio calculation and TDC model was established and used to construct the corresponding Hessian matrices of MbCO and flavodoxin proteins. After carrying out the normal mode analyses, delocalization of the amide I vibrational normal mode was investigated in detail. The resultant data were analyzed in detail.

Original languageEnglish
Pages (from-to)6821-6832
Number of pages12
JournalJournal of Chemical Physics
Volume117
Issue number14
DOIs
Publication statusPublished - 2002 Oct 8

ASJC Scopus subject areas

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

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