Atomistic Simulation Approach for Multimolecular Crowding Biosystem: Developments and Applications

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Other Title
  • 分子夾雑系理解に向けたシミュレーション手法の開発と応用

Abstract

<p>It has been elucidated that ATP can nonspecifically dissolve protein aggregates. We examined the microscopic mechanisms by using atomistic simulations and proposed that ATP adenosines-proteins backbone atom interactions destabilize aggregated protein. This mechanism is worthwhile for verification due to universal nature, while it is difficult to directly test it by conventional approaches due to rare-event nature for simulations with machine power of today. To overcome the computational difficulty, we newly developed simulation techniques to effectively treat multimeric protein disassembly and biochemical reactions within realistic computational time.</p>

Journal

  • Seibutsu Butsuri

    Seibutsu Butsuri 62 (4), 215-218, 2022

    The Biophysical Society of Japan General Incorporated Association

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