A Multicanonical Molecular Dynamics Study on a Simple Bead-Spring Model for Protein Folding : Cross-Disciplinary Physics
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概要
- 論文の詳細を見る
We have performed a multicanonical molecular dynamics simulation on a simple model protein. We have studied a model protein composed of charged, hydrophobic, and neutral spherical bead monomers. Since the hydrophobic interaction is considered to significantly affect protein folding, we particularly focus on the competition between effects of the Coulomb interaction and the hydrophobic interaction. We found that the transition which occurs upon decreasing the temperature is markedly affected by the change in both parameters and forms of the hydrophobic potential function, and the transition changes from first order to second order, when the Coulomb interaction becomes weaker.
- 社団法人日本物理学会の論文
- 2001-05-15
著者
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Shimizu Hisashi
Department of Cardiology, Kyorin University School of Medicine
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Isobe Masaharu
Japan Science And Technology Corporation (jst):department Of Computational Science Kanazawa Universi
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HIWATARI Yasuaki
Department of Computational Science,Kanazawa University
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Shimizu Hisashi
Department Of Cardiology Kyorin University School Of Medicine
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Hiwatari Yasuaki
Department Of Computational Science Kanazawa University
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Hiwatari Yasuaki
Department Of Computational Science Faculty Of Science Kanazawa University
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Shimizu Hisashi
Department of Physics, Shinshu University
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