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 journalArticle

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 C7-eq, however the minimum energy conformations are obtained as α-helix for all the model amino acids at the interface region.

Original languageEnglish
Pages (from-to)267-272
Number of pages6
JournalChemical Physics Letters
Volume364
Issue number3-4
DOIs
Publication statusPublished - 2002 Oct 4

Fingerprint

Solvation
Binary mixtures
binary mixtures
Free energy
solvation
amino acids
Conformations
flux density
free energy
Amides
amides
Amino Acids
helices
1-Octanol
leucine
alanine
Leucine
Alanine
continuums
Water

All Science Journal Classification (ASJC) codes

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

Cite this

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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.",
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Investigation of some amino acids conformations at the interface of binary mixture using the solvation free energy density model. / Nam, Ky Youb; Cho, Doo Ho; Paek, Kyungsoo; No, Kyoung Tai.

In: Chemical Physics Letters, Vol. 364, No. 3-4, 04.10.2002, p. 267-272.

Research output: Contribution to journalArticle

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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

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PY - 2002/10/4

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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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