Kitasato University · Graduate School of Engineering for the Future / Faculty of Engineering for the Future · 助教

Research keywords分子シミュレーション・蛋白質・生物物理

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• Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules
• Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water
• Data-efficient protein mutational effect prediction with weak supervision by molecular simulation and protein language models
• Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation

• 拡散モデルによる蛋白質の立体構造集団の生成
• 自己集合ペプチドが形成する高次構造の解析・予測法の開発
• 分子動力学法による翻訳後修飾を伴った天然変性領域の分子認識メカニズムの解明

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