Yu Takano

タカノユウ | Yu Takano

Affiliation and department：
Job title： Professor
Other affiliations (1)：

Hiroshima City University

Homepage URL (1)： https://sites.google.com/site/yutakano74/

Research field (2)： Biophysics , Basic physical chemistry

Research keywords (4)： protein , molecular dynamics simulation , quantum chemistry , molecular simulation

Research theme for competitive and other funds (15)：

2022 - 2026 計算科学による蛋白質構造形成相互作用の高次構造依存性の解明と新規分子力場の開発
2020 - 2025 大規模・高精度な第一原理計算による超秩序構造の機能解明とデザイン
2019 - 2021 蛋白質構造形成に関する高次構造依存性の解明および新規分子力場の開発
2016 - 2019 Elucidation of dependence of secondary structure on the formation of protein structure and development of new forcefield incorporating effects of secondary structure
2015 - 2019 Construction of oversea base and international network for 3D active site science

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Papers (138)：

Yu Takano, Hiroko X Kondo, Haruki Nakamura. Quantitative evaluation of noncovalent interactions with negative fragmentation approach including basis set superposition error correction. Bulletin of the Chemical Society of Japan. 2024. 97. 9
Hiroko X Kondo, Yu Takano. Structure comparison of heme-binding sites in heme protein predicted by AlphaFold3 and AlphaFold2. Chemistry Letters. 2024. 53. 8
Miki Kaneko, Yu Takano, Toru Saito. C-H Bond Dissociation Enthalpy Prediction with Machine Learning Reinforced Semi-empirical Quantum Mechanical Calculations. Chemistry Letters. 2024
Hiroko X. KONDO, Yu TAKANO. Hydrogen Bond Energies in Helical Peptides Investigated by Negative Fragmentation Approach with Density Functional Theory. Seibutsu Butsuri. 2024. 64. 2. 89-93
Yusuke Kanematsu, Hiroko X. Kondo, Yu Takano. Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model. International Journal of Molecular Sciences. 2023. 24. 24. 17172-17172

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MISC (10)：

Duan, Lian, Takano, Yu, Shigeta, Yasuteru. Theoretical Prediction of the Redox Potential of Catechins with First Principle Calculation. Journal of Computational Chemistry, Japan. 2022. 20. 4. 137-139
近藤寛子, 飯塚博幸, 舛本現, 兼松佑典, 鷹野優. ヘム蛋白質における構造機能相関の解明に向けた蛋白質ポケットとヘムの歪みの相関解析. 日本蛋白質科学会年会プログラム・要旨集. 2021. 21st
Yu Takano, Hiroko X. Kondo, Yusuke Kanematsu, Yasuhiro Imada. Computational study of distortion effect of Fe-porphyrin found as a biological active site. JAPANESE JOURNAL OF APPLIED PHYSICS. 2020. 59. 1
Narutoshi Kamiya, Tadaaki Mashimo, Yu Takano, Takahide Kon, Genji Kurisu, Haruki Nakamura. Elastic Property of Dynein Motor Domain Obtained from All-Atom Molecular Dynamics Simulations in Explicit Water. BIOPHYSICAL JOURNAL. 2015. 108. 2. 466A-466A
Okuda H, Yonezawa Y, Takano Y, Okamura Y, Fujiwara Y. Conserved Trp in the adjacent S4 helices cooperatively produce the sustained-deactivation in the voltage-gated H+ channel dimer. Journal of Physiological Sciences. 2015. 65. Supplement1. S119

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Books (3)：

機能構造科学入門 3D活性サイトと物質デザイン
丸善出版 2016 ISBN:9784621300602
錯体化学選書10 金属錯体の量子・計算化学
三共出版 2014
「見てわかる構造生命科学」ー生命科学研究へのタンパク質構造の利用ー
化学同人 2014 ISBN:9784759815771

Lectures and oral presentations (155)：

Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations
(10th Asian Biological Inorganic Chemistry Conference 2022)
Computational Study of Metal Centers in Proteins
(10th Asian Biological Inorganic Chemistry Conference 2022)
Depolarizing effects in hydrogen bond energy in 310-helices revealed by quantum chemical analysis
(International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC Kota Kinabalu) 2022 2022)
IDO1による一重項酸素生成とトリプトファンの選択的酸化の理論的研究
(日本化学会中国四国支部大会広島大会 2022)
QM/MM MD計算を用いたヒドロキシ尿素のウレアーゼ阻害作用の解明
(日本化学会中国四国支部大会広島大会 2022)

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Education (3)：

1999 - 2002 Osaka University Graduate School of Science Department of Chemistry
1997 - 1999 Osaka University Graduate School of Science Department of Chemistry
1993 - 1997 Osaka University Faculty of Science Department of Chemistry

Professional career (1)：

博士(理学) (大阪大学)

Work history (11)：

2021/04/01 - 2023/03/31 広島市立大学副理事(入学試験担当)
2020/04/01 - 2021/03/31 広島市立大学大学院情報科学研究科研究科長補佐
2016/04/01 - Hiroshima City University Department of Biomedical Information Science, Graduate School of Information Sciences Professor
2015/04/01 - 2016/03/31 Hiroshima City University Department of Frontier Science, Graduate School of Information Sciences Professor
2007/04/01 - 2015/03/31 Osaka University Institute for Protein Research Assistant Professor

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Committee career (6)：

2020/01/01 - 2021/12/31 日本生物物理学会分野別専門委員
2019/01/01 - 2020/12/31 日本生物物理学会分野別専門委員
2017/04 - 2019/03 日本生物物理学会平成29・30年度代議員
2017/01/01 - 2018/12/31 日本生物物理学会分野別専門委員
2017/03/01 - 日本化学会中国四国支部幹事

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Awards (7)：

2021/03/25 - 広島市立大学広島市立大学2020年度教員特別表彰
2020/03/25 - 広島市立大学広島市立大学2019年度教員表彰
2019/03/20 - 広島市立大学広島市立大学平成30年度教員表彰
2018/03/23 - 広島市立大学広島市立大学平成29年度教員表彰
2017/03/23 - 広島市立大学広島市立大学平成28年度教員表彰

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Association Membership(s) (6)：

Biosupercomputing Research Community , Japan Society of Molecular Science , Protein Science Society of Japan , The Biophysical Society of Japan , American Chemical Society , The Chemical Society of Japan

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