Division of Life Sciences

Biological Function and Information Group

Name Faculty Position
SHIGETA Yasuteru Professor/Director of CCS/Leader
SHOJI Mitsuo Professor
TANI Kazutoshi Professor
HARADA Ryuhei Associate Professor
Kowit Hengphasatporn Assistant Professor
IVONINA MARIIA Assistant Professor
DUAN LIAN Assistant Professor
SAITO Kazuya Researcher
Manussada Ratanasak Researcher
HIROKAWA Takatsugu Faculty of Medicine Professor (Collaborative Fellow)
YOSHINO Ryunosuke Faculty of Medicine Assistant Professor (Collaborative Fellow)
YAGI Kiyoshi Department of Chemistry, Institute of Pure and Applied Sciences Professor (Collaborative Fellow)
MATSUI Toru Associate Professor (Collaborative Fellow)
OKAZAWA Kazuki Institute of Pure and Applied Sciences Assistant Professor (Collaborative)

Biological Science Group

Name Faculty Position
INAGAKI Yuji Professor / Chief
NAKAYAMA Takuro Assistant Professor
HASHIMOTO Tetsuo Faculty of Life and Enviromental Sciences Honorary Professor (Collaborative Fellow)

Biological Function and Information Group

氏名 重田 育照
Name SHIGETA Yasuteru
Faculty
Section
Position Professor/Director of CCS/Leader
Theme Computational analyses on nano- and bio-systems
Related Links
TRIOS
researchmap
Email shigetaccs.tsukuba.ac.jp
  • Research Interests
  • Academic & Professional Experience
    Apr 2025
    -
    Present
    Center for Computational Sciences, University of Tsukuba Director
    Apr 2019
    -
    Present
    National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute Visiting Researcher
    Apr 2016
    -
    Present
    Center for Computational Sciences, University of Tsukuba Division of Life Science Professor
    May 2014
    -
    Present
    Osaka University Graduate School of Engineering Sciences Visiting Professor
    Apr 2023
    -
    Mar 2025
    University of Tsukuba Headquarter Vice president and Executive director for Research
    Apr 2018
    -
    Mar 2020
    宇宙航空研究開発機構
    Apr 2016
    -
    Mar 2018
    Institute of Molecular Sciences Visiting professor
    Mar 2014
    -
    Mar 2016
    筑波大学
    Aug 2010
    -
    Mar 2014
    Osaka University Graduate School of Engineering Science, Department of Materials Engineering Science Division of Materials Physics
    Aug 2011
    -
    Jul 2013
    Ministry of Education,Culture,Sports,Science and Technology
    May 2008
    -
    Jul 2010
    University of Hyogo of Life Science, Graduate School
    Feb 2007
    -
    May 2008
    筑波大学
    Dec 2003
    -
    Jan 2007
    The University of Tokyo The Graduate School of Engineering, Department of Applied Chemistry
    Apr 2001
    -
    Dec 2003
    The University of Tokyo Graduate School of Arts and Sciences
    Apr 2000
    -
    Mar 2001
    Osaka University Graduate School of Science, Department of Chemistry
    Jan 1999
    -
    Mar 2000
    Osaka University Graduate School of Science, Department of Chemistry
  • Published Papers
    ▼▲
    Catalytic Promiscuity Underpins Metabolic Resistance to Auxinic Herbicides in Echinochloa phyllopogon
    Chayapakdee, Pattarasuda, Hengphasatporn, Kowi, Yamaguchi, Takuya, Su, Danrui, Dimaano, Niña Gracel, Shigeta, Yasuteru, Sunohara, Yukari, Matsumoto, Hiroshi, Iwakami, Satoshi
    Journal of Agricultural and Food Chemistry 74 (25) Jun 2026[Refereed]
    Highly Dispersed Pt-Decorated Oxygen-Vacancy-Rich MOF-Derived SnO2 Nanostructures on MEMS Hot Plate for ppb-Level Hydrogen Detection
    Yan, Yong, Lan, Xigui, Li, Yuzhou, Xiong, Zhihao, Liang, Meihua, Yang, Jiaxuan, Liu, Xiaodong, Jia, Rongrong, Ge, Yuanyuan, Duan, Lian, Shoji, Mitsuo, Shigeta, Yasuteru, Li, Zhili, Huang, Lei
    ACS APPLIED MATERIALS & INTERFACES 18 (17) May 2026[Refereed]
    2-Mercaptophenylboronic acid: a superior alternative to 2-mercaptoethanol for thioester hydrolysis.
    Kohei Sato, Takaya Yamamoto, Manussada Ratanasak, Yuta Hori, Tenta Ito, Masaya Denda, Tetsuo Narumi, Yasuteru Shigeta, Akira Otaka, Nobuyuki Mase
    Organic & biomolecular chemistry Apr 2026
    A system of paired polyether epoxide hydrolases enables a mouldable enzyme for consecutive ring cyclization cascades.
    Nana Yabuno, Atsushi Minami, Taro Ozaki, Yuki Owada, Kohei Sawada, Ayaka Arai, Shusuke Sato, Aoi Sugiyama, Takashi Tadokoro, Tomoyasu Aizawa, Takuya Dosen, Tomo Nomai, Takanori Matsumaru, Junyang Liu, Tao Ye, Atsuji Kodama, Susumu Uchiyama, Kowit Hengphasatporn, Yasuteru Shigeta, Tomohide Saio, Katsumi Maenaka, Min Yao, Hiroyuki Kumeta, Hideaki Oikawa, Toyoyuki Ose
    Nature chemistry Apr 2026
    Desorption dynamics of interstellar molecule on amorphous solid water investigated by machine learning potential-based PaCS-MD simulation
    Natsuki Watanabe, Johannes Kästner, Yuta Hori, Yasuteru Shigeta, Mitsuo Shoji, Ryuhei Harada
    The Journal of Chemical Physics 164 (14) Apr 2026
    Calabanones A-H, chromanone derivatives from the stem bark of Calophyllum calaba and their cytotoxic activities against cancer cells
    Kaennakam, Sutin, Mulya, Fadjar, Ratanasak, Manussada, Rassamee, Kitiya, Siripong, Pongpun, Shigeta, Yasuteru, Phuwapraisirisan, Preecha, Sukandar, Edwin R.
    NATURAL PRODUCTS AND BIOPROSPECTING 16 (1) Mar 2026[Refereed]
    Boosting Electron-Hole Charge Separation in CO2 Photoreduction through Fluoroporphyrin-Linked Nickel(II)-Acetylide Frameworks
    Chen, Lifen, Duan, Lian, Wang, Yidi, Shigeta, Yasuteru, Hengphasatporn, Kowi, Xu, Linli, Wong, Wai-Yeung
    CARBON ENERGY Mar 2026[Refereed]
    DFT-based mechanistic study of a bifunctional Al-porphyrin catalyst for CO2/PO and TsNCO polymerizations toward polycarbonates and polyurethanes
    Ratanasak, Manussada, Injongkol, Yuwanda, Shigeta, Yasuteru
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 28 (14) Mar 2026[Refereed]
    Humidity-Induced Tristate Magnetic Switching in a Self-Healing High-Spin Cluster Material
    Akagi, Shintaro, Wang, Junhao, Ratanasak, Manussada, Shigeta, Yasuteru, Nishibori, Eiji, Liberka, Michal, Chorazy, Szymon, Ohkoshi, Shin-ichi, Tokoro, Hiroko
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Mar 2026[Refereed]
    Versatile polycationic imidazolium hyper-crosslinked polymers for efficient removal of radioactive iodide and adsorption of metallo-anions
    Junthod, Kritanan, Srisawat, Pasi, Laoviwat, Pipatpong, Watanabe, Natsuki, Tangsasom, Paramed, Srevattanangkul, Apimook, Kaeopookum, Piriya, Sangtawesin, Tanagorn, Todee, Bunyaporn, Shigeta, Yatsuteru, Hengphasartporn, Kowi, Tantirungrotechai, Jonggol, Bunchuay, Thanthapatra
    SEPARATION AND PURIFICATION TECHNOLOGY 382 (3) Feb 2026[Refereed]
    DFDD: A Cloud-Ready Tool for Distance-Guided Fully Dynamic Docking in Host-Guest Complexation
    Hengphasatporn, Kowi, Duan, Lian, Harada, Ryuhei, Shigeta, Yasuteru
    JOURNAL OF CHEMICAL INFORMATION AND MODELING Feb 2026[Refereed]
    Proton Tautomerism for Anhydrous Superprotonic Conduction in 1,2,3-Triazolium Dihydrogen Phosphate Crystal
    Nishioka, Kaito, Dekura, Shun, Fujino, Tomoko, Mizuno, Motohiro, Kumai, Reiji, Thomsen, Bo, Shiga, Motoyuki, Hori, Yuta, Shigeta, Yasuteru, Mori, Hatsumi
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION Feb 2026[Refereed]
    Conformational Gating in Electron Transfer from Cytochrome c to Cytochrome c Oxidase.
    Wataru Sato, Kowit Hengphasatporn, Atsuhiro Shimada, Takeshi Uchida, Shinya Yoshikawa, Yasuteru Shigeta, Koichiro Ishimori
    The journal of physical chemistry. B 130 (3) Jan 2026
    Chlorinated bis-4-hydroxycoumarins suppress flavivirus replication by inhibiting dengue virus type 2 translation and replication
    Loeanurit, Napha, Phan, Thi-Hong-Truc, Hengphasatporn, Kowi, Chanachanvong, Thanchanok, Toopradab, Borwornlak, Maitarad, Phornphimon, Chanchaem, Prangwalai, Sawaswong, Vorthon, Payungporn, Sunchai, Suwanchan, Ajirawadee, Auwal, Auwal Rabiu, Wangkanont, Kittikhun, Rungrotmongkol, Thanyada, Shigeta, Yasuteru, Khotavivattana, Tanatorn, Chavasiri, Warinthorn, Boonyasuppayakorn, Siwaporn
    SCIENTIFIC REPORTS 16 (1) Jan 2026[Refereed]
    Identification of Sulfonamide-Vinyl Sulfone/Chalcone and Berberine-Cinnamic Acid Hybrids as Potent DENV and ZIKV NS2B/NS3 Allosteric Inhibitors
    Panupong Mahalapbutr, Kowit Hengphasatporn, Wachirapol Manimont, Ladawan Vajarintarangoon, Yasuteru Shigeta, Nayana Bhat, Thitinan Aiebchun, Bodee Nutho, Supot Hannongbua, Thanyada Rungrotmongkol
    International Journal of Molecular Sciences Dec 2025
    DFT Study of Boric Acid-Promoted Thioester Hydrolysis via a Concerted Bond-Breaking Mechanism
    Manussada Ratanasak, Yuta Hori, Kohei Sato, Yasuteru Shigeta
    The Journal of Physical Chemistry A Dec 2025
    Structure of the chromoprotein ovorubin from the golden apple snail (Pomacea canaliculata)
    Wilasluck, Patcharin, Saw, Wuan-Geok, Tran, Bich Ngoc, Sabat, Grzegorz, Shih, Orion, Hengphasatporn, Kowi, Shigeta, Yasuteru, Vinayavekhin, Nawaporn, Wangkanont, Kittikhun
    PROTEIN SCIENCE 35 (1) Dec 2025[Refereed]
    Chlorinated biscoumarins inhibit chikungunya virus replication in cell-based and animal models.
    Chidinma Nelson Orji, Naphat Loeanurit, Van-Can Pham, Thi-Hong-Truc Phan, Kowit Hengphasatporn, Yasuteru Shigeta, Altri Diana Putri, Laura Sandra Lello, Andres Merits, Noppadol Wacharachaisurapol, Wanna Eiamart, Supeecha Wittayalertpanya, Tanatorn Khotavivattana, Warinthorn Chavasiri, Siwaporn Boonyasuppayakorn
    Emerging microbes & infections 14 (1) Dec 2025
    Structural and biochemical differences between non-catalytic and catalytic antibodies
    Uda, Taizo, Kato, Ryuichi, Shigeta, Yasuteru, Hirota, Shun, Kobayashi, Jun, Yoshida, Hisashi, Tsuyuguchi, Masato, Hengphasatporn, Kowi, Tsujita, Moe, Taguchi, Hiroaki, Hifumi, Emi
    MABS 17 (1) Dec 2025[Refereed]
    Comprehensive Evaluation of Tectona grandis L.f.: Integrated In Vitro and In Silico Analysis of Steroid 5α-Reductase Inhibition and Anti-Inflammatory Properties
    Sasimontra Timjan, Kowit Hengphasatporn, Janjira Inprasit, Kornkanok Ingkaninan, Yasuteru Shigeta, Nutchaninad Tanuphol, Prapapan Temkitthawon
    ACS Omega Nov 2025
  • Awards & Honors
    ▼▲
    Sep 2023
    International Academic Award of the Society for Molecular Science Contribution to the theoretical analysis of triplet-triplet annihilation upconversion mechanisms in solutions and solids
    Sep 2023
    Japan Society for Molecular Science 8th Japan Society for Molecular Science International Investigator Awards
    Feb 2019
    Best Faculty Awards 2018
    Oct 2017
    22nd QSCP Promising Scientist Award of CMOA Research Award
    Mar 2017
    Royal Chemical Society Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016 論文査読
    May 2013
    大阪大学 第2回大阪大学総長奨励賞・研究部門 研究業績
    Sep 2012
    分子科学会 第5回分子科学会奨励賞 研究業績
    Apr 2010
    文部科学省 平成23年文部科学大臣表彰若手科学者賞 研究業績
    Mar 2009
    日本化学会 第58回日本化学会進歩賞 研究業績
    Mar 2007
    Royal Chemical Society PCCP Prize for the Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics Research Award
    Mar 2006
    日本化学会 第86回日本化学会年会優秀講演賞 研究業績
  • Books etc
    ▼▲
    Iron in Biology: Molecular Structures, Cellular Processes and Living Systems
    SHIGETA, Yasuteru ( Computational chemistry studies on iron-containing proteins toward understanding underlaying mechanism)
    Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications, Progress in Theoretical Chemistry and Physics (Springer)
    SHIGETA, Yasuteru ( Integrated In-Silico Drug Modeling for Viral Proteins)
    Hydrogenomics: The Science of Fully Utilizing Hydrogen
    Hori, Yuta, Nishikawa, Koji, Shigeta, Yasuteru, Higuchi, Yoshiki ( Biological Enzymes and Hydrogenases)
    Recent advances of the fragment molecular orbital method Subtitle: Enhanced performance and applicability
    Shigeta, Yasuteru (Role:Contributor, AnalysisFMO toolkit: PyMOL plugin module to 3D-visualize interaction energies in protein (3D-VIEP) generated by fragment molecular orbital calculation)
    Advances in Quantum Chemistry
    Shigeta, Yasuteru, Harada, Ryuhei (Role:Contributor, Parallel Cascade Selection Molecular Dynamics Simulations for Transition Pathway Sampling of Biomolecules)
    Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications
    Baba, Takeshi, Kamiya, Katsumasa, Shigeta, Yasuteru (Role:Contributor, Integrated Computational Studies on Mutational Effects of A Nylon-degrading Enzyme)
    Reference modules in Materials Science and Engineering 2016
    Harada, Ryuhei, Inagaki, Yuji, Shigeta, Yasuteru (Role:Contributor, Protein Folding and Evolution)
    金属錯体の量子・計算化学
    重田,育照, 北河康隆 (Role:Contributor, 第4-1章 錯体の伝導性)
    Quantum mechanics Chap. 17
    Shigeta,Yasuteru (Role:Contributor, Quantal Cumulant Mechanics as Extended Ehrenfest Theorem)
    Conceptual and Computational Advances in Quantum Chemistry, Chap. 25
    Shigeta,Yasuteru (Role:Contributor, Theoretical Studies on Metal-Containing Artificial DNA Bases”, Advances in the Theory of Atomic and Molecular Systems)
    Advances in the Theory of Atomic and Molecular Systems, Conceptual and Computational Advances in Quantum Chemistry, Chap. 21
    Shigeta,Yasuteru (Role:Contributor, Quantum Theory in Terms of Cumulant Variables)
    ADVANCES IN THE THEORY OF ATOMIC AND MOLECULAR SYSTEMS: DYNAMICS, SPECTROSCOPY, CLUSTERS, AND NANOSTRUCTURES
    Shigeta, Yasuteru, Miyachi, Hideaki, Matsui, Toru, Yokoyama, Norisuke, Hirao, Kimihiko (Role:Contributor, Quantum Theory in Terms of Cumulant Variables)
    Challenges and Advances in Computational Chemistry and Physics, Chap. 2
    Shigeta,Yasuteru (Role:Contributor, Single-Reference Methods for Excited States in Molecules and Polymers)
    物性量子化学入門
    重田,育照 (Role:Contributor, 第１３、１４章)
  • Research Grants & Projects
    ▼▲
    量子生命技術の創製と医学・生命科学の革新
    光・量子飛躍フラッグシッププログラム (分担者)
    Research period: Sep 2020 - Mar 2030Representative: 馬場嘉信
    Science of Meso-Hierarchy
    Grants-in-Aid for Scientific Research
    Research period: Apr 2023 - Mar 2028
    Theory of mesohierarchy
    Grants-in-Aid for Scientific Research
    Research period: Apr 2023 - Mar 2028
    クライオ電顕による１分子構造解析に基づいた蛋白質構造の連続的なダイナミクスの解析
    科学研究費助成事業
    Research period: Apr 2023 - Mar 2026Representative: 守屋 俊夫, 重田 育照, 村田 武士
    クライオ電顕による１分子構造解析に基づいた蛋白質構造の連続的なダイナミクスの解析
    科学研究費助成事業
    Research period: Apr 2023 - Mar 2026Representative: 守屋 俊夫, 重田 育照, 村田 武士
    3D ドメインスワッピングを利用したタンパク質の自在配列と機能化
    戦略的創造研究推進事業 (分担者)
    Research period: Dec 2020 - Mar 2026Representative: 廣田俊
    Novel drug development for the treatment of mitochondrial diseases by activation of cytochrome c oxidase
    Research grant on rare and intractable diseases Program
    Research period: Apr 2021 - Mar 2024Representative: Yasunori SHINTANI
    Theoretical study on dynamics of metalloproteins from mitochondrial DNA in aging hypothesis
    Grants-in-Aid for Scientific Research
    Research period: Apr 2022 - Mar 2023
    Quantum Bioenergetics for Exploring Dynamics of Metals in Protein
    Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Apr 2020 - Mar 2022Representative: SHIGETA Yasuteru
    Theoretical analysis of biohydrogenomics
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Apr 2019 - Mar 2021
    Structure-based design of middle molecules for drug discovery
    Research period: Jun 2018 - Mar 2021Representative: Katsumi MAENAKA
    Advancement and network formation of the project Photosynergetics by international collaboration
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Nov 2015 - Mar 2019Representative: MIYASAKA Hiroshi
    Elucidation of Structure-Function Relationship of Biological Active Sites and New Material Design by Molecular Simulation
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Jul 2014 - Mar 2019Representative: Takano Yu, SHIGETA yasuteru, KAMIYA katsumasa, SHOJI mitsuo, KONDO hiroko x.
    Control of multiple spin exciton states by synergetic studies of theory and experiment
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Jul 2014 - Mar 2019Representative: Yasuteru Shigeta, NAKANO Masayoshi, MIZOKURO Toshiko, FUJIMOTO Kazuhiro
    Application of Cooperative Excitation into Innovative Molecular Systems with High-Order Photofunctions
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Jul 2014 - Mar 2019Representative: Miyasaka Hiroshi
    Molecular design of nylon hydrolase and industrial application of the enzyme
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
    Research period: Apr 2014 - Mar 2019Representative: Negoro Seiji, HIGUCHI yoshiki, SHIBATA naoki, SHIGETA yasuteru, GOTO yuji, NAGAI keisuke, TAKEHARA ikki
    Sub-issue A, Priority Issue 7, Post-K Supercomputer Project
    New-functionality and high-performance semiconductor devices
    Research period: Apr 2016 - Mar 2019Representative: Atsushi Oshiyama
    ポスト「京」重点課題 (7)「次世代の産業を支える新機能デバイス・高性能材料 の創成」サブ課題A 「高機能半導体デバイス」
    Research period: Apr 2016 - Mar 2019Representative: 押山淳
    Development of materials imaging technique based on flexible fluorophores
    Grants-in-Aid for Scientific Research Grant-in-Aid for Young Scientists (A)
    Research period: Apr 2015 - Mar 2018Representative: SAITO Shohei, YABU Hiroshi, MIYASAKA Hiroshi, SOTOME Hikaru, SAKAMOTO Akira, OKAJIMA Hajime, MATSUMOTO Yoshiyasu, WATANABE Kazuya, OTSUBO Kazuya, HADA Masaki, ONDA Ken, SHIGETA Yasuteru, SATO Ryuma, NOBUSUE Shunpei, SEKI Takahiro, SEKI Mitsuo
    A Challenging Study for Development of Theory of Transport Phenomena in Mesoscale Space
    Grants-in-Aid for Scientific Research Grant-in-Aid for Challenging Exploratory Research
    Research period: Apr 2015 - Mar 2017Representative: Yasunori Okano
    キュミュラント粗視化動力学によるタンパク質動的秩序形成過程の理論研究
    科学研究費助成事業 新学術領域研究(研究領域提案型)
    Research period: Apr 2014 - Mar 2015Representative: 重田 育照
    Siナノドットの非線形光学特性変化に対する動力学的解析
    科学研究費助成事業 新学術領域研究(研究領域提案型)
    Research period: Apr 2013 - Mar 2015Representative: 重田 育照
    Density-Functional Approach to Atomic and Electronic Structures and their Dynamics in Nano-Structures
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    Research period: Apr 2010 - Mar 2015Representative: OSHIYAMA Atsushi, MIYAZAKI Tsuyoshi, TSUCHIDA Eiji, OZAKI Taisuke, IWARA Junichi, UCHIDA Kazuyuki, SHIGETA Yasuteru
    Molecular design of nylon oligomer degradation enzyme and its application to bioproduction
    Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
    Research period: Apr 2010 - Mar 2014Representative: NEGORO Seiji, TAKEO Masahiro, KATO Dai-ichiro, HIGUCHI Yoshiki, SHIBATA Naoki, GOTO Yuji, IKEGAMI Takahisa, SHIGETA Yasuteru, KAMIYA Katsumasa
    Quantum chemical studies on a cooperative proton and electron transfer reaction in protein
    Grants-in-Aid for Scientific Research Grant-in-Aid for Young Scientists (A)
    Research period: Apr 2010 - Mar 2014Representative: SHIGETA Yasuteru
    第一原理計算による生体内酵素反応の理論解析
    フェロー
    Research period: Apr 2011 - Mar 2012Representative: 重田育照
    電子ダイナミクスによる電子集団運動の解析
    科学研究費助成事業 特定領域研究
    Research period: 2008 - 2009Representative: 重田 育照
    Real-time analyses of proton-coupled electron transfer reactions : Quantal cumulant dynamics
    Grants-in-Aid for Scientific Research Grant-in-Aid for Young Scientists (B)
    Research period: 2008 - 2009Representative: SHIGETA Yasuteru
    量子ハイブリッド分子動力学法による生体機能の量子デザイン
    科学研究費助成事業 特定領域研究
    Research period: 2007 - 2008Representative: 舘野 賢, 濡木 理, 重田 育照
    電子ダイナミクスに基づく生体分子触媒反応のシミュレーション
    科学研究費助成事業 基盤研究(B)
    Research period: 2007 - 2008Representative: BOERO Mauro, 舘野 賢, 重田 育照
    タンパク質超分子中のプロトン移動機構の電子レベルでの解明
    科学研究費助成事業 特定領域研究
    Research period: 2006 - 2007Representative: BOERO Mauro, 白石 賢二, 舘野 賢, 重田 育照
    凝縮相および生体内における電子・水素移動の協同現象に対する理論的研究
    科学研究費助成事業 特別研究員奨励費
    Research period: 2001 - 2003Representative: 重田 育照
    電子-核密度汎関数理論の構築と量子ダイナミクスへの展開
    科学研究費助成事業 特別研究員奨励費
    Research period: 1999 - 2000Representative: 重田 育照
氏名 庄司 光男
Name SHOJI Mitsuo
Faculty
Section
Position Professor
Theme Theoretical investigation on the reaction mechanisms of enzymes
Related Links
TRIOS
researchmap
Email mshojiccs.tsukuba.ac.jp
氏名 谷 一寿
Name TANI Kazutoshi
Faculty
Section
Position Professor
Theme Structural Analysis of Protein Compelexes using cryo-electron microscopy (cryo-EM)
Related Links
trios
researchmap
Email ktaniccs.tsukuba.ac.jp
harada 氏名 原田 隆平
Name HARADA Ryuhei
Faculty
Section
Position Associate Professor
Theme
Related Links
TRIOS
researchmap
Email ryuheiccs.tsukuba.ac.jp
氏名
Name Kowit Hengphasatporn
Faculty
Section
Position Assistant Professor
Theme Molecular modeling and Structure-based virtual screening on the biological systems
Related Links
Email kowithccs.tsukuba.ac.jp
氏名 IVONINA MARIIA
Name IVONINA MARIIA
Faculty
Section
Position Assistant Professor
Theme Molecular dynamics and quantum chemistry simulations of biomolecules
Related Links
ORCiD
Email ivonina.mariia.gpu.tsukuba.ac.jp
氏名 段　練
Name DUAN LIAN
Faculty
Section
Position Assistant Professor
Theme
Related Links
ORCiD
researchmap
Email duanlianccs.tsukuba.ac.jp
氏名 齋藤 一弥
Name SAITO Kazuya
Faculty
Section
Position Researcher
Theme
Related Links
researchmap
Email kazuyachem.tsukuba.ac.jp
氏名 Manussada Ratanasak
Name Manussada Ratanasak
Faculty
Section
Position Researcher
Theme Catalyst Design, QSAR/QSPR, DFT Calcula2ons, QM/MM, Reac2on Mechanism
Related Links
Email manussadaccs.tsukuba.ac.jp
氏名 広川 貴次
Name HIROKAWA Takatsugu
Faculty Faculty of Medicine
Section
Position Professor (Collaborative Fellow)
Theme
Related Links
Email
氏名 吉野 龍ノ介
Name YOSHINO Ryunosuke
Faculty Faculty of Medicine
Section
Position Assistant Professor (Collaborative Fellow)
Theme Drug discovery and structural optimization using molecular simulation techniques
Related Links
Email
氏名 八木　清
Name YAGI Kiyoshi
Faculty Department of Chemistry, Institute of Pure and Applied Sciences
Section
Position Professor (Collaborative Fellow)
Theme Molecular Vibrational Theory, QM/MM calculations
Related Links
TRIOS
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Email kiyoshi.yagichem.tsukuba.ac.jp
氏名 松井　亨
Name MATSUI Toru
Faculty
Section
Position Associate Professor (Collaborative Fellow)
Theme
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Email matsuichem.tsukuba.ac.jp
氏名 岡澤 一樹
Name OKAZAWA Kazuki
Faculty Institute of Pure and Applied Sciences
Section
Position Assistant Professor (Collaborative)
Theme Theoretical studies on electron transports of π-conjugated molecules; Theoretical studies on self-assembly processes
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Trios
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Email okazawaccs.tsukuba.ac.jp

Biological Science Group

氏名 稲垣 祐司
Name INAGAKI Yuji
Faculty
Section
Position Professor / Chief
Theme Molecular phylogeny of eukaryotes Investigation of lateral genetransfers at the whole-gene and sub-gene levels Estimation of protein functions by combining structural and evolutionary parameters Artifacts in molecular dataanalyses
Related Links
TRIOS
researchmap
Email yujiccs.tsukuba.ac.jp
氏名 中山 卓郎
Name NAKAYAMA Takuro
Faculty
Section
Position Assistant Professor
Theme Organellogenesis through intracellular symbiosis, Diversity and ecology of eukaryotic unicellular organisms
Related Links
Email ntakuroccs.tsukuba.ac.jp
氏名 橋本 哲男
Name HASHIMOTO Tetsuo
Faculty Faculty of Life and Enviromental Sciences
Section
Position Honorary Professor (Collaborative Fellow)
Theme Molecular evolutionary studies on the origin and early evolution of eukaryotes
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Email