Institute of Science Tokyo · School of Computing · 特任助教

Research keywords生物物理学 計算科学 生命情報学 溶液化学 統計力学理論

Research fieldsStructural biochemistry・生命、健康、医療情報学・生物物理、化学物理、ソフトマターの物理・Biophysics・薬系化学、創薬科学・Computational science

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• Predicting the binding free energy of the inclusion process of 2-Hydroxypropyl-β-Cyclodextrin and small molecules by means of MM/3D-RISM method
• A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method
• Implication of the cause of differences in 3D structures of proteins with high sequence identity based on analyses of amino acid sequences and 3D structures
• CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides.

• 3D－RISM理論を応用した解析的な揺らぎ計算手法の開発
• ３D-RISM理論と一般化ランジェヴァン方程式に基づく蛋白質の構造揺らぎの研究
• シミュレーションと学習による環状ペプチド膜透過性の汎用的・低コストな予測法の開発
• 液体の統計力学理論を応用したフラグメントベースドッキング法の開発

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