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

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

doi:10.1063/1.1581855

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

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

122 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 language	English
Pages (from-to)	1451-1461
Number of pages	11
Journal	Journal of Chemical Physics
Volume	119
Issue number	3
DOIs	https://doi.org/10.1063/1.1581855
Publication status	Published - 2003 Jul 15

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.1581855

Cite this

@article{75d59e3a5b4f44549e50215605ae6b38,

title = "Amide I modes of tripeptides: Hessian matrix reconstruction and isotope effects",

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.",

author = "Sihyun Ham and Sangyob Cha and Choi, {Jun Ho} and Minhaeng Cho",

year = "2003",

month = jul,

day = "15",

doi = "10.1063/1.1581855",

language = "English",

volume = "119",

pages = "1451--1461",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "3",

}

TY - JOUR

T1 - Amide I modes of tripeptides

T2 - Hessian matrix reconstruction and isotope effects

AU - Ham, Sihyun

AU - Cha, Sangyob

AU - Choi, Jun Ho

AU - Cho, Minhaeng

PY - 2003/7/15

Y1 - 2003/7/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0042594667&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0042594667&partnerID=8YFLogxK

U2 - 10.1063/1.1581855

DO - 10.1063/1.1581855

M3 - Article

AN - SCOPUS:0042594667

SN - 0021-9606

VL - 119

SP - 1451

EP - 1461

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 3

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this