Amide I IR, VCD, and 2D IR spectra of polypeptide and ubiquitin: Numerical simulation studies

Jun Ho Choi; Minhaeng Cho

doi:10.1109/CLEOPR.2007.4391237

Amide I IR, VCD, and 2D IR spectra of polypeptide and ubiquitin: Numerical simulation studies

Jun Ho Choi, Minhaeng Cho

Department of Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

A computational scheme were established for numerical simulations of amide I IR absorption, vibrational circular dichroism (VCD), and 2D IR photon echo spectra of different secondary structure peptides and the protein ubiquitin in solution. We compared these simulated spectra with experiments and found good agreements between theory and experiments.

Original language	English
Title of host publication	2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM
DOIs	https://doi.org/10.1109/CLEOPR.2007.4391237
Publication status	Published - 2007
Event	2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM - Seoul, Korea, Republic of Duration: 2007 Aug 26 → 2007 Aug 31

Publication series

Name	Pacific Rim Conference on Lasers and Electro-Optics, CLEO - Technical Digest

Other

Other	2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM
Country/Territory	Korea, Republic of
City	Seoul
Period	07/8/26 → 07/8/31

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1109/CLEOPR.2007.4391237

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Amide I IR, VCD, and 2D IR spectra of polypeptide and ubiquitin : Numerical simulation studies. / Choi, Jun Ho; Cho, Minhaeng.

2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM. 2007. 4391237 (Pacific Rim Conference on Lasers and Electro-Optics, CLEO - Technical Digest).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Choi, JH & Cho, M 2007, Amide I IR, VCD, and 2D IR spectra of polypeptide and ubiquitin: Numerical simulation studies. in 2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM., 4391237, Pacific Rim Conference on Lasers and Electro-Optics, CLEO - Technical Digest, 2007 Conference on Lasers and Electro-Optics - Pacific Rim, CLEO/PACIFIC RIM, Seoul, Korea, Republic of, 07/8/26. https://doi.org/10.1109/CLEOPR.2007.4391237

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abstract = "A computational scheme were established for numerical simulations of amide I IR absorption, vibrational circular dichroism (VCD), and 2D IR photon echo spectra of different secondary structure peptides and the protein ubiquitin in solution. We compared these simulated spectra with experiments and found good agreements between theory and experiments.",

author = "Choi, {Jun Ho} and Minhaeng Cho",

year = "2007",

doi = "10.1109/CLEOPR.2007.4391237",

language = "English",

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ER -

Amide I IR, VCD, and 2D IR spectra of polypeptide and ubiquitin: Numerical simulation studies

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