Hori Yuta
- Affiliation
- Center for Computational Sciences
- Official title
- Assistant Professor
- ORCID
- 0000-0002-3212-1996
- Sex
- Male
- KAKEN ID
- 40806915
- URL
- G!(+"<KGzz,E-,.$.yxExzE#)
- Office
- 生命科学研究部門 生命物理研究グループ
- Research fields
Basic chemistry Biological physics/Chemical physics/Soft matter physics - Research keywords
Computational Chemistry Quantum Chemistry Theoretical Chemistry - Research projects
Amino acid homochirality formation mechanism based on elementary processes in gas and solid phases 2024-04 -- 2027-03 Yuta Hori Japan Society for the Promotion of Science/Grant-in-Aid for Early-Career Scientists 4,680,000Yen Exploration of precise protein engineering through the fusion of synthetic chemistry and theoretical calculation 2024-04 -- 2025-03 Yuta Hori 公益財団法人 豊田理化学研究所/豊田理研スカラー共同研究 (Phase1) 1,000,000Yen 無水プロトン伝導物質の伝導機構の理解に基づく物質設計 2024-04 -- 2025-03 Yuta Hori Network Joint Research Center for Materials and Devices/クロスオーバー共同研究 330,000Yen 電子共役プロトン移動反応のための電子状態解析 2024-04 -- 2025-03 Yuta Hori Network Joint Research Center for Materials and Devices/基盤共同研究課題 150,000Yen Elucidation of Anhydrous Hydrogen Ion Conduction Process Mechanism by Theoretical Chemistry and Theoretical Proposal for Materials Design 2023-04 -- 2024-03 Yuta Hori 公益財団法人 豊田理化学研究所/豊田理研スカラー 1,000,000Yen 星間空間におけるアミノ酸ホモキラリティー生成過程の量子化学的探求 2021-04 -- 2023-03 Yuta Hori 日本学術振興会/学術変革領域研究(A) 5,200,000Yen Theoretical development of biohydrogenomics based on hydrogen activation and transport 2021-04 -- 2023-03 Yuta Hori Japan Society of for the Promotion of Science/Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area) 3,640,000Yen プロトン移動を伴う機能性材料開発のための電子状態解析 2021-04 -- 2022-03 堀 優太 物質・デバイス領域共同研究拠点/基盤共同研究 110,000Yen 無水プロトン伝導材料設計に向けた計算化学による機能解析 2021-04 -- 2023-03 堀 優太 公益財団法人 マツダ財団/第36回 マツダ研究助成 1,000,000Yen プロトン移動共役型スピン転移反応の理論的解析 2020-04 -- 2021-03 Yuta Hori 物質・デバイス領域共同研究拠点/基盤共同研究課題 100,000Yen more... - Career history
2019-04 -- (current) University of TsukubaCenter for Computational SciencesAssistant Professor 2018-04 -- 2019-03 Kyushu UniversityInstitute for Materials Chemistry and Engineering特任助教 2017-04 -- 2018-03 Kyushu UniversityInstitute for Materials Chemistry and Engineering学術研究員 - Degree
2017-03 博士(理学) Kanazawa University - Academic societies
2022-03 -- (current) PROTEIN SCIENCE SOCIETY OF JAPAN 2022-02 -- (current) Hydrogenomics alliance 2020-10 -- (current) 量子生命科学会 2020-07 -- (current) THE PHYSICAL SOCIETY OF JAPAN 2020-05 -- (current) THE BIOPHYSICAL SOCIETY OF JAPAN 2013-02 -- (current) THE CHEMICAL SOCIETY OF JAPAN 2012-08 -- (current) Japan Society for Molecular Science 2019-07 -- (current) Japan Society of Theoretical Chemistry - Honors & Awards
2022-05 Best Poster Award 2022 2020-12 量子生命科学会 第二回大会 優秀発表賞 2017-03 金沢大学大学院自然科学研究科長賞 2012-03 金沢大学理工学域長賞 - Articles
- Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches
Ida Tomonori; Kojima Honoka; Hori Yuta
CHEMICAL COMMUNICATIONS/59(83)/pp.12439-12442, 2023-10-17 - Development of an Iron(II) Complex Exhibiting Thermal- and Photoinduced Double Proton-Transfer-Coupled Spin Transition in a Short Hydrogen Bond
Nakanishi Takumi; Hori Yuta; Shigeta Yasuteru; Sato H...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/145(35)/pp.19177-19181, 2023-09 - New insights into the oxidation process from neutron and X-ray crystal structures of an O2-sensitive [NiFe]-hydrogenase
Hiromoto Takeshi; Nishikawa Koji; Inoue Seiya; Ogata ...
CHEMICAL SCIENCE/14(35)/pp.9306-9315, 2023-08 - Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory
Watanabe Natsuki; Hori Yuta; Shoji Mitsuo; Boero Maur...
CHIRALITY/35(9)/pp.645-651, 2023-04 - Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses
Munei Yohei; Hengphasatporn Kowit; Hori Yuta; Harada ...
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY/71(24)/pp.9528-9537, 2023-06-21 - 1T/1H-SnS2 Sheets for Electrochemical CO2 Reduction to Formate
Kawabe Yusuke; Ito Yoshikazu; Hori Yuta; Kukunuri Sur...
ACS NANO/17(12)/pp.11318-11326, 2023-06-27 - Enantioselective Amino Acid interactions in Solution
Watanabe Natsuki; Shoji Mitsuo; Miyagawa Koichi; Hori ...
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/25(21)/pp.15023-15029, 2023-05 - Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement
Nakanishi Takumi; Hori Yuta; Shigeta Yasuteru; Sato H...
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/25(17)/pp.12394-12400, 2023-04 - Deprotonation-Induced and Ion-Pairing-Modulated Diradical Properties of Partially Conjugated Pyrrole–Quinone Conjunction
Shinya Sugiura; Takashi Kubo; Yohei Haketa; Yuta Hori...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/145(14)/pp.8122-8129, 2023-03 - 有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究
渡辺 七都稀; 堀 優太; 庄司 光男; 重田 育照
Journal of Computer Chemistry, Japan/21(4)/pp.80-81, 2023-03 - 4-hydroxyphenylpyruvate dioxygenase (HPPD)における金属活性中心の力場パラメータの構築とその評価
宗井 陽平; 堀 優太; Kowit Hengphasatporn; 原田 隆平; 重田 育照
Journal of Computer Chemistry, Japan/21(4)/pp.82-84, 2023-03 - Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory
Hori Yuta; Sato Ayaka; Yasuteru Shigeta
JOURNAL OF COMPUTER CHEMISTRY-JAPAN/21(4)/pp.77-79, 2023-03 - Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron–Sulfur Proteins Investigated by the Density Functional Theory Approach
Sato Ayaka; Hori Yuta; Yasuteru Shigeta
Inorganic Chemistry/62(5)/pp.2040-2048, 2023-01 - Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space
Hori Yuta; Nakamura Honami; Sakawa Takahide; Natsuki Wat...
Astrobiology/22(11)/pp.1330-1336, 2022-09 - Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses
Mitsuo Shoji; Natsuki Watanabe; Hori Yuta; Kenji Furuya; ...
Astrobiology/22(9)/pp.1129-1142, 2022-09 - Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate
Dekura Shun; Sunairi Yoshiya; Okamoto Kei; Takeiri Fumit...
Solid State Ionics/372/p.115775, 2021-12 - Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics
Hori Yuta; Dekura Shun; Sunairi Yoshiya; Ida Tomonori; Mi...
The Journal of Physical Chemistry Letters/12(22)/pp.5390-5394, 2021-06 - Proton conduction mechanism in proton-conducting PVPA-xIm composites investigated by theoretical approaches
Hori Yuta; Suetake Toshiya; Ida Tomonori; Mizuno Motohir...
The Journal of Computer Chemistry, Japan/19(4)/pp.131-132, 2021-02 - Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-imidazole Composites Investigated by Molecular Dynamics Simulations
Hori Yuta; Suetake Toshiya; Shigeta Yasuteru; Ida Tomono...
Chemistry Letters/50(1)/pp.17-20, 2020-10 - Three-step Spin State Transition and Hysteretic Proton Transfer in the Crystal of an Iron(II) Hydrazone Complex
Nakanishi Takumi; Hori Yuta; Wu Shuqi; Sato Hiroyasu; Oka...
Angewandte Chemie International Edition/59(35)/pp.14781-14787, 2020-06 - Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)–Imidazole Composite Investigated by Molecular Dynamics
Hori Yuta; Suetake Toshiya; Shiota Yoshihito; Yoshizawa ...
ACS Applied Polymer Materials/2(4)/pp.1561-1568, 2020-02 - Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach
Ida Tomonori; Nishida Manami; Hori Yuta
The Journal of Physical Chemistry A/123(44)/pp.9579-9586, 2019-10 - Role of Amino-Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO
Miyanishi Mayuko; Abe Tsukasa; Hori Yuta; Shiota Yoshihi...
Inorganic Chemistry/58(18)/pp.12280-12288, 2019-08 - Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex
Nakanishi Takumi; Hori Yuta; Sato Hiroyasu; Wu Shuqi; Oka...
Journal of the American Chemical Society/141(36)/pp.14384-14393, 2019-08 - Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions
Hori Yuta; Abe Tsukasa; Shiota Yoshihito; Yoshizawa Kazu...
Bulletin of the Chemical Society of Japan/92(11)/pp.1840-1846, 2019-08 - more...
- Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches
- Books
- Biological Enzymes and Hydrogenases
Hori Yuta; Nishikawa Koji; Shigeta Yasuteru; Higuchi Yos...
Hydrogenomics: The Science of Fully Utilizing Hydrogen/共立出版, 2023-04 - Theoretical Approach to Homogeneous Catalyst of Methane Hydroxylation: Collaboration with Computation and Experiment
Hori Yuta; Abe Tsukasa
Direct Hydroxylation of Methane: Interplay Between Theory and Experiment/Springer/pp.151-165, 2020-10 - 計算化学が先導する酵素触媒反応の設計
堀 優太; 塩田 淑仁; 吉澤 一成
高機能性金属錯体が拓く触媒科学:革新的分子変換反応の創出をめざして/pp.160-166, 2020-04
- Biological Enzymes and Hydrogenases
- Conference, etc.
- Theoretical analysis of proton transfer and molecular motion in proton-conducting molecular crystals using first-principle calculations
堀 優太; 浩樹 小倉; 駿 出倉; 初果 森; 重田 育照
The 104th CSJ Annual Meeting (2024)/2023-03-22--2023-03-25 - Theoretical Analysis of Structure, Electronic State, and Function of Metalloproteins by Computational Approach
堀 優太; 佐藤 綾香; 重田 育照
凝縮系の理論化学/2024-03-26--2024-03-27 - Theoretical analysis of the electronic and geometrical structures of the active center of a high-potential iron-sulfur protein and its influence from surrounding amino acids
Sato Ayaka; Hori Yuta; Shigeta Yasuteru
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)/2023-09-04--2023-09-09 - Theoretical study for the active site in oxidized [NiFe]-hydrogenase
堀 優太; 佐藤 綾香; 重田 育照
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)/2023-09-04--2023-09-09 - SOD1のCYS酸化に伴う構造変化の理論的研究
佐藤 綾香; 藤木 涼; 堀 優太; Hengphasatporn Kowit; 重田 育照
日本コンピュータ化学会2023年/2023-11-24--2023-11-26 - Theoretical investigation into the electronic and geometrical structures for the oxidation tolerance of [NiFe]-hydrogenases
堀 優太; 佐藤 綾香; 重田 育照
第61回日本生物物理学会年会/2023-11-14--2023-11-16 - 無水プロトン伝導物質の設計に向けた計算化学による伝導機構の理論解析
堀 優太
マテリアル・計測ハイブリッド研究センター若手フォーラム/2023-11-07--2023-11-08 - 星間空間におけるホモキラリティー発生の理論的研究
堀 優太; 渡辺 七都稀; 庄司 光男; 重田 育照
第17回分子科学討論会/2023-09-12--2023-09-15 - 実験との連携による酵素触媒反応の機構解析と理論設計
堀 優太
化学反応経路探索のニューフロンティア2023/2023-09-11--2023-09-11 - Computational Approach to the Active Site in Metal-Containing Protein for Hydrogen
Hori Yuta
2023 CCS-EPCC Workshop/2023-10-11--2023-10-12 - Characterization of the electronic and geometrical structures and the formation pathway in oxidized [NiFe]-hydrogenase
Hori Yuta; Shigeta Yasuteru
17th International Congress of Quantum Chemistry/2023-06-26--2023-07-01 - 実験との連携による計算化学の生体・物質系へのアプローチ
堀 優太
次世代若手研究者による応用計算・理論化学研究会2023/2023-07-25--2023-07-26 - 還元型高電位鉄硫黄タンパク質の鉄硫黄クラスターの電子状態と周囲のアミノ酸が与える影響
堀 優太; 佐藤 綾香; 重田 育照
第25回理論化学討論会/2023-05-16--2023-05-19 - 酸化型[NiFe]ヒドロゲナーゼの生成過程と活性中心の構造についての理論解析
堀 優太; 佐藤 綾香; 重田 育照
量子生命科学会第5回大会/2023-05-18--2023-05-19 - 高電位鉄硫黄タンパク質の活性中心の電子状態及び構造と周囲のアミノ酸からの影響の理論解析
佐藤 綾香; 堀 優太; 重田 育照
量子生命科学会第5回大会/2023-05-18--2023-05-19 - 分子動力学計算に基づくシロイヌナズナおよび エンバクHPPD-メソトリオン複合体の結合挙動解析
宗井 陽平; 堀 優太; HENGPHASATPORN KOWIT; 原田 隆平; 重田 育照
日本コンピューター化学会 2022年 秋季年会/2022-11-26 - Theoretical Analysis for Anisotropy of Proton Conduction in Imidazolium Hydrogen Succinate by First-Principles Calculations
堀 優太; 重田 育照
日本化学会 第103春季年会(2023)/2023-03-22--2023-03-25 - Computational Chemical Approaches to the Microscopic Mechanism of Anhydrous Proton Conduction Materials
堀 優太
Asia Pacific Conference of Theoretical and Computational Chemistry APATCC-10/2023-02-19--2023-02-23 - 分子動力学計算に基づくシロイヌナズナおよびエンバクHPPD-メソトリオン複合体の結合挙動解析
宗井 陽平; 堀 優太; Hengphasatporn Kowit; 原田 隆平; 重田 育照
日本コンピュータ化学会2022年秋季年会/2022-11-25--2022-11-27 - 有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究
渡辺 七都稀; 庄司 光男; 堀 優太; 重田 育照
日本コンピュータ化学会2022年秋季年会/2022-11-25--2022-11-27 - heoretical prediction into a possibility of the formation of propylene oxide homochirality
堀 優太; 渡辺 七都稀; 庄司光男; 重田 育照
Symposium on Next Generation Astrochemistry 2022/2022-11-29--2022-12-02 - Chiral symmetry breaking for amino acid homochirality by dimerization
渡辺 七都稀; 庄司光男; 堀 優太; 重田 育照
Symposium on Next Generation Astrochemistry 2022/2022-11-29--2022-12-02 - 高電位鉄硫黄タンパク質の電子状態と周辺アミノ酸からの影響
堀 優太; 佐藤 綾香; 重田 育照
日本コンピュータ化学会2022年秋季年会/2022-11-25--2022-11-27 - 化学反応ネットワークと機械学習による生成物および反応経路予測の可能性
井田 朋智; 小島 穂夏; 堀 優太
第45回ケモインフォマティクス討論会/2022-11-18--2022-11-19 - Elucidation of the BioHydrogen Function Mechanism by Computational Chemistry
堀 優太; 重田 育照
第32回日本MRS年次大会/2022-12-05--2022-12-07 - more...
- Theoretical analysis of proton transfer and molecular motion in proton-conducting molecular crystals using first-principle calculations
- Teaching
2023-04 -- 2023-08 Collaborative Research in Physics IV University of Tsukuba. 2023-10 -- 2024-02 Collaborative Research in Physics IV University of Tsukuba. 2023-04 -- 2023-08 Collaborative Research in Physics V University of Tsukuba. 2023-10 -- 2024-02 Collaborative Research in Physics V University of Tsukuba. 2023-04 -- 2023-08 Special seminar for condensed matter theory VA University of Tsukuba. 2023-10 -- 2024-02 Seminar on Theoretical Condensed Matter Physics D University of Tsukuba. 2023-04 -- 2023-08 Special seminar for condensed matter theory IIIB University of Tsukuba. 2023-04 -- 2023-08 Special seminar for condensed matter theory VB University of Tsukuba. 2023-10 -- 2024-02 Practical Training in Physics I University of Tsukuba. 2023-04 -- 2023-08 Practical Training in Physics I University of Tsukuba. more... - Professional activities
2023-10 -- (current) Japan Society of Theoretical Chemistry 第26回理論化学討論会 実行委員 2021-01 -- 2022-12 日本生物物理学会 分野別専門委員 2021-08 -- 2021-11 Society of Computer Chemistry, Japan 日本コンピュータ化学会2021年秋季年会 実行委員 - University Management
2023-04 -- (current) 計算科学研究センター 社会実装推進室 室員 2022-05 -- 2022-10 CCSシンポジウム実行委員会 委員 - Other activities
2023-06 -- 2023-06 ウェブリリース(筑波大学計算科学研究センター)、「タンパク質の構造変化の違いが除草剤の効き目に関与する可能性を提案」 2023-06 -- 2023-06 共同プレスリリース(名古屋大学、金沢大学、筑波大学)、「二酸化炭素の還元触媒について、 構造と電気化学特性の関係をナノスケールで解明~副反応を抑えた二酸化炭素還元のための触媒開発に貢献~」 2023-04 -- 2023-04 プレスリリース(立命館大学、大阪大学、筑波大学、慶應義塾大学)、「荷電π電子系が発現するジラジカル性をイオンペア形成によって制御~電子スピンを利用した電子・光機能材料の開発に期待~」 2022-09 -- 2022-09 ウェブリリース(筑波大学計算科学研究センター)宇宙空間での生命の起源につながるホモキラリティーの可能性を提案〜生命科学と宇宙物理分野による学際連携による発見〜 2022-03 -- 2022-03 生物物理のテーマを執筆、「複雑な生体内の酵素触媒反応を分子レベルで理解する」『C-18:酵素機能(生物物理のテーマ)』(日本生物物理学会) 2021-06 -- 2021-06 プレスリリース(筑波大学、金沢大学)、「有機固体電解質中のプロトン伝導メカニズムを解明〜高効率な燃料電池の設計指針に〜」
(Last updated: 2024-04-03)