| 所属 | 豊橋技術科学大学
情報・知能工学専攻 |
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| 学年 | 修士2年 |
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| E-mail | nagura☆klab.cs.tut.jp |
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研究テーマ†
研究業績†
国際学術雑誌に発表した論文†
- "Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitors", Sabishiro, H.; Nagura, Y.; Chimura, N.; Yuguchi, M.; Nakatani, C.; Takenaka, S.; Sugizaki, H.; Kurita, N. Journal of Molecular Graphics and Modelling, 2025, 137, 108977. https://doi.org/10.1016/j.jmgm.2025.108977
- "Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations", Thongdee, P.; Nagura, Y.; Sabishiro, H.; Phusi, N.; Sukchit, D.; Kamsri, P.; Punkvang, A.; Pungpo, P.; Kurita, N. Journal of Biomolecular Structure and Dynamics, 2025, 43(3), 1192-1205. https://doi.org/10.1080/07391102.2023.2291178
- "Modification of MM force fields around heme-Fe in the CYP–ligand complex and ab initio FMO calculations for the complex", Nagura, Y.; Sabishiro, H.; Chimura, N.; Yuguchi, M.; Tada, N.; Takimoto, D.; Kurita, N. Journal of Molecular Graphics and Modelling, 2024, 133, 108875. https://doi.org/10.1016/j.jmgm.2024.108875
Shaji, D.; Nagura, Y.; Sabishiro, H.; Suzuki, R.; Kurita, N.
Shaji, D.; Das, A; Suzuki, R.; Nagura, Y.; Sabishiro, H.; Kurita, N.
国内学術雑誌に発表した論文†
国際学会における発表†
国内学会における発表†
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