Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model

Ky Youb Nam; Doo Ho Cho; Kyungsoo Paek; Kyoung Tai No

doi:10.1016/S0009-2614(02)01335-0

Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model

Ky Youb Nam, Doo Ho Cho, Kyungsoo Paek, Kyoung Tai No

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

5 Citations (Scopus)

Abstract

The behavior of terminally blocked amino acids, N-acetyl alanine amide (NAA), N-acetyl leucine amide (NAL), and N-acetyl glutatmine amide (NAQ) at the 1-octanol/water continuum interface was investigated by Monte Carlo simulation with the solvation free energy density (SFED) calculation method. All the model amino acids have free energy minimum near the interface. These amino acids can have various conformations such as α-helix, β-sheet, and C_7-eq, however the minimum energy conformations are obtained as α-helix for all the model amino acids at the interface region.

Original language	English
Pages (from-to)	267-272
Number of pages	6
Journal	Chemical Physics Letters
Volume	364
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(02)01335-0
Publication status	Published - 2002 Oct 4

Bibliographical note

Funding Information:
K.-Y.N. would like to thank the Department of Chemistry of Soongsil University for the financial support of the BK program. This work was supported by the Korea Science and Engineering Foundation (1999-2-123-001-3).

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(02)01335-0

Cite this

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title = "Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model",

abstract = "The behavior of terminally blocked amino acids, N-acetyl alanine amide (NAA), N-acetyl leucine amide (NAL), and N-acetyl glutatmine amide (NAQ) at the 1-octanol/water continuum interface was investigated by Monte Carlo simulation with the solvation free energy density (SFED) calculation method. All the model amino acids have free energy minimum near the interface. These amino acids can have various conformations such as α-helix, β-sheet, and C7-eq, however the minimum energy conformations are obtained as α-helix for all the model amino acids at the interface region.",

author = "Nam, {Ky Youb} and Cho, {Doo Ho} and Kyungsoo Paek and No, {Kyoung Tai}",

note = "Funding Information: K.-Y.N. would like to thank the Department of Chemistry of Soongsil University for the financial support of the BK program. This work was supported by the Korea Science and Engineering Foundation (1999-2-123-001-3). ",

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doi = "10.1016/S0009-2614(02)01335-0",

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T1 - Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model

AU - Nam, Ky Youb

AU - Cho, Doo Ho

AU - Paek, Kyungsoo

AU - No, Kyoung Tai

N1 - Funding Information: K.-Y.N. would like to thank the Department of Chemistry of Soongsil University for the financial support of the BK program. This work was supported by the Korea Science and Engineering Foundation (1999-2-123-001-3).

PY - 2002/10/4

Y1 - 2002/10/4

N2 - The behavior of terminally blocked amino acids, N-acetyl alanine amide (NAA), N-acetyl leucine amide (NAL), and N-acetyl glutatmine amide (NAQ) at the 1-octanol/water continuum interface was investigated by Monte Carlo simulation with the solvation free energy density (SFED) calculation method. All the model amino acids have free energy minimum near the interface. These amino acids can have various conformations such as α-helix, β-sheet, and C7-eq, however the minimum energy conformations are obtained as α-helix for all the model amino acids at the interface region.

AB - The behavior of terminally blocked amino acids, N-acetyl alanine amide (NAA), N-acetyl leucine amide (NAL), and N-acetyl glutatmine amide (NAQ) at the 1-octanol/water continuum interface was investigated by Monte Carlo simulation with the solvation free energy density (SFED) calculation method. All the model amino acids have free energy minimum near the interface. These amino acids can have various conformations such as α-helix, β-sheet, and C7-eq, however the minimum energy conformations are obtained as α-helix for all the model amino acids at the interface region.

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JF - Chemical Physics Letters

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Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model

Abstract

Bibliographical note

All Science Journal Classification (ASJC) codes

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