Toyohashi University of Technology · Division of Intelligent Engineering · 准教授

Research keywordsBiophysics・DFT・DNAチップ・DNAミスマッチ・FMO・Green関数・Physical・PNA・アルツハイマー病・がん

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• Proposal of novel CYP3A4 inhibitors: Molecular simulations based on molecular mechanics and ab initio fragment molecular orbital methods2026
• Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations2023
• 分解酵素ブチリルコリンエステラーゼに対する新規阻害剤の提案:Ab initioフラグメントMO計算
• Efficiency of the MO method using a Slater-type basis set and non-local density functional formalism for describing DNA base stacking energy

• 新型二次電池材料の開発と高容量化
• 細胞シミュレーションによるがん細胞の浸潤機構の解明
• カーボンナノチューブとDNAとの特異的相互作用に関する分子シミュレーション解析
• Quantum chemical study on DNA transcription mechanism

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