The SAAP Force Field:Development of a New Protein Force Field Using Single Amino-Acid Potentials

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  • IWAOKA Michio
    Department of Chemistry, School of Science, Tokai University

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  • ＳＡＡＰ力場：単一アミノ酸ポテンシャルを利用した新しいタンパク質力場の開発
  • SAAP リキバ タンイツ アミノサン ポテンシャル オ リヨウ シタ アタラシイ タンパクシツ リキバ ノ カイハツ

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Description

The force field of a protein is an important and fundamental tool for protein scientists in modeling the structures. Although currently available all-atom protein force fields have been well tuned, it is still a difficult and time-consuming task to quantitatively reproduce the thermodynamic parameters by computer simulation, especially in water. In this article, a new all-atom protein force field (named as the SAAP force field), which is based on a novel idea to compose a protein force field by using single amino acid potential (SAAP) functions, is presented.

Journal

  • Seibutsu Butsuri

    Seibutsu Butsuri 44 (2), 64-69, 2004

    The Biophysical Society of Japan General Incorporated Association

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