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

Jun H. 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

Fingerprint

Flavodoxin
myoglobin
Myoglobin
Amides
amides
peptides
excitons
Hessian matrices
Peptides
Proteins
interactions
proteins
LDS 751

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin. / Choi, Jun H.; Ham, Sihyun; Cho, Minhaeng.

In: Journal of Chemical Physics, Vol. 117, No. 14, 08.10.2002, p. 6821-6832.

Research output: Contribution to journalArticle

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