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학술연구/단체지원/교육 등 연구자 활동을 지속하도록 DBpia가 지원하고 있어요.
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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 저널정보
- 한국자기공명학회 Journal of the Korean Magnetic Resonance Society Journal of the Korean Magnetic Resonance Society 제22권 제4호
- 발행연도
- 2018.1
- 수록면
- 139 - 143 (5page)
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초록· 키워드
오류제보하기
Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptidemicelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.
목차
등록된 정보가 없습니다.
참고문헌 (20)
참고문헌 신청
남기엽 / 2011 / Conformational Study of N-terminal Prion Peptides by Molecular Dynamics Simulations / Bulletin of the Korean Chemical Society 32(10):3553~3554
지준구 / 2010 / Unambiguous Determination of Intermolecular Hydrogen Bond of NMR Structure by Molecular Dynamics Refinement Using All-Atom Force Field and Implicit Solvent Model / Bulletin of the Korean Chemical Society 31(9):2717~2720
Z. Zhang / 2003 / Biophys. J. 84:3583
G. E. Arnold / 1994 / Proteins 18:19
W. Im / 2002 / J. Mol. Biol. 319:1177
지준구 / 2010 / Unambiguous Determination of Intermolecular Hydrogen Bond of NMR Structure by Molecular Dynamics Refinement Using All-Atom Force Field and Implicit Solvent Model / Bulletin of the Korean Chemical Society 31(9):2717~2720
Z. Zhang / 2003 / Biophys. J. 84:3583
G. E. Arnold / 1994 / Proteins 18:19
W. Im / 2002 / J. Mol. Biol. 319:1177
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