日本語
Hiroshima City University 
Graduate School of Information Sciences 
Dept. of Biomedical Information Sciences 

Lecturer 
Saito Toru 

Tel.082-830-1617  
 

Career
Osaka University  Graduate School of Science, Department of Chemistry  JSPS Research Fellowship for Young Scientists (DC1)  2009/04-2012/03 
Max-Planck-Institut für Kohlenforschung  Theoretische Chemie  JSPS Postdoctoral Fellow for Research Abroad  2012/04-2014/01 
Osaka University  3rd Division Institute for Academic Initiatives  Specially appointed assistant professor  2014/02-2016/03 
Osaka University  Graduate School of Science, Department of Chemistry  Visiting researcher  2014/05-2016/03 
Hiroshima City University  Graduate School of Information Sciences, Department of Biomedical Information Sciences  Assistant professor  2016/04-2019/03 
Hiroshima City University  Department of Biomedical Information Sciences, Graduate School of Information Sciences  Senior Lecturer  2019/04-Present 

Academic background
Osaka University  School of Science  Department of Chemistry  2007/03  Graduated 
Osaka University  Graduate School of Science  Department of Chemistry  Doctor prophase  2009/03  Completed 
Osaka University  Graduate School of Science  Department of Chemistry  Doctor later  2012/03  Completed 

Research Areas
Computational Chemistry 
Bioinorganic chemistry 
bioinformation science 

Research keywords
Metalloproteins 
Oxidation reactions 
Strongly correlated electron system 
Semiempirical molecular orbital theory 
QM/MM MD simulation 

Research Funds
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  生体分子中の窒素の特性を,中性子回折と計算化学により解明する  2019/02/07-2022/03/31  Assignment 
Commisioned Research  新規医薬品設計に向けた薬物代謝反応の計算化学的研究  2018/04/01-2019/03/31  Representative 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  分子シミュレーションによる生体活性サイトの構造・機能相関の解明とデザイン  2017/04/01-2019/03/31  Assignment 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  金属酵素の反応活性と動的構造変化の理論的研究  2016/04/01-2019/03/31  Representative 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  ビラジカル遷移状態計算法の深化と実在分子における反応機構の解明  2015/07/10-2018/03/31  Assignment 
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Bibliography
Approximate spin projection for broken-symmetry method and its application" in Symmetry (Group Theory) and Mathematical Treatment in Chemistry  Y. Kitagawa, T. Saito, K. Yamaguchi  IntechOpen  2018 
Electronic and Spin Structures of the CaMn4O5(H2O)4 Cluster in OEC of PSII Refined to 1.9 Å X-ray Resolution" Advances in Quantum Chemistry  S. Yamanaka*, K. Kanda, T. Saito, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, H. Nakamura, K. Yamaguchi  Elsevier  2012 
Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism” In Progess in Theoretical Chemistry and Physics  S. Yamanaka*, K. Kanda, T. Saito, Y. Kitagawa, T. Kawakami, M. Ehara, M. Okumura, H. Nakamura, K. Yamaguchi  Springer Verlag  2012 
Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory” In Progess in Theoretical Chemistry and Physics  K. Kanda*, S. Yamanaka, T. Saito, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi  Springer Verlag  2012 
“Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems” In Progess in Theoretical Chemistry and Physics  N. Yasuda, Y. Kitagawa*, H. Hatake, T. Saito, Y. Kataoka, T. Matsui, T. Kawakami, S. Yamanaka, M. Okumura, K. Yamaguchi  Springer Verlag  2012 
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Papers
Research paper (scientific journal)  Joint  UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model  T. Kawakami, K. Miyagawa, S. Sharma, T. Saito, M. Shoji, S. Yamada, S. Yamanaka, M. Okumura, T. Nakajima*, K. Yamaguchi  Journal of Computational Chemistry  40, 333-341  2019  doi.org/10.1002/jcc.25602 
Research paper (scientific journal)  Joint  Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results  T. Saito*, M. Fujiwara, Y. Takano  Molecules  23, 3332-1-3332-17  2018  10.3390/molecules23123332 
Research paper (scientific journal)  Joint  近似スピン射影法の開発と多核遷移金属錯体の電子状態・分子構造・物性解明への展開  北河康隆 齋藤徹 山口兆  Bulletin of Japan Society of Coordination Chemistry (Accounts)  71, 57-68  2018  doi.org/10.4019/bjscc.71.57 
Research paper (scientific journal)  Joint  Transition State Search Using rPM6: Iron- and Manganese-catalyzed Oxidation Reactions as a Test Case  T. Saito*, Y. Takano  Bulletin of the Chemical Society of Japan  91, 1377-1389  2018  10.1246/bcsj.20180119 
Research paper (scientific journal)  Joint  A Bis(μ-oxido)dinickel(III) Complex with a Triplet Ground State  Y. Morimoto*, Y. Takagi, T. Saito, T. Ohta, T. Ogura, N. Tohnai, M. Nakano, S. Itoh*  Angewandte Chemie International Edition  57, 7640-7643  2018  10.1002/anie.201802779 
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Research presentations
Poster presentation  代謝部位予測に向けた半経験的分子軌道法の検証  第46回生体分子科学討論会  2019/06/22 
Oral presentation(invited, special)  Semiempirical Quantum Chemical Calculations on Quasi-Degenerate Systems  Symposium on Electronic Structure and Dynamics of Complex Systems  2019/04/27 
Oral presentation(general)  半経験的分⼦軌道法の定量性の検証  日本化学会 第99春季年会  2019/03/19 
Oral presentation(invited, special)  計算化学による金属酵素と生体模倣触媒の研究  2018年度日本生物物理学会北海道支部例会  2019/03/14 
Poster presentation  分⼦設計に向けた半経験的分⼦軌道法の定量性の検証  3D活性サイト科学第9回成果報告会  2019/03/02 
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Prizes
Travel Scholarship (ISTCP-VII)  2011 
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Allotted class
情報活用基礎 
e-ラーニング英語 I 
生物情報処理特論 
外書講読演習I 
量子・統計力学 
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Memberships of academic societies
理論化学研究会  2015-Present 
分子科学会  2007-Present 
日本化学会  2007/03-Present 
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Open lecture
オープンキャンパス  Open lecture  2019/08-2019/08 
模擬授業 「コンピュータをつかった化学実験」広島皆実高等学校  Others  2019/07-2019/07 
ひろしま医工学スクール ハンズオンチュートリアル「コンピュータで薬を設計してみよう」  Open lecture  2019/03-2019/03 
広島市立大学地域貢献事業発表会  Open lecture  2018/11-2018/11 
オープンキャンパス  Open lecture  2018/08-2018/08 
広島市立大学地域貢献事業発表会  Open lecture  2017/11-2017/11 
オープンキャンパス  Others  2017/07-2017/07 
広島市立大学地域貢献事業発表会  Open lecture  2016/11-2016/11  分子から個体までを対象に理論と実験の両面から医療に貢献するバイオ情報学 
オープンキャンパス  Others  2016/08-2016/08 
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