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Professor NAGAO Hidemi
Faculty, Affiliation
Faculty of Mathematics and Physics, Institute of Science and Engineering Computational Science Course
College and School Educational Field
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology
Division of Mathematical and Physical Sciences, Graduate School of Natural Science and Technology
School of Mathematics and Physics, College of Science and Engineering
Laboratory
Computational Bioscience
Academic Background
【Academic background(Doctoral/Master's Degree)】
Kanazawa University Doctor Graduate School of Natural Science and Technology Department of Material Science 199403 Completed
【Academic background(Bachelor's Degree)】
Kanazawa University Department of Chemistry 1988
【Degree】
PhD of Science
Career
Year & Month of Birth
1963/12
Academic Society
Award
Specialities
Electronic Structure、Biological physics/Chemical physics/Soft matter physics
Speciality Keywords
Electronic Structure, Biophysics
Research Themes
Theoretical Study on High-Tc Superconductors
Theoretical research on light-matter interactions
Molecular design for conductivity, superconductivity, magnetic property, and photophysic property development
Books
- Organometallic Conjugation John Wiley & Sons
- Kazutomo Kawaguchi, Hidemi Nagao Handbook of Membrane Protein Engineering NTS 2020/04/20
- H.Nagao, A.M.Yaremko, S.P.Kruchinin, K.Yamaguchi New Trends in Superconductivity Kluwer Academic Publishers 2002
- Kazutomo Kawaguchi, Hidemi Nagao Chemistry Kagaku Dojin 2019
Papers
- A path integral centroid molecular dynamcis method for Bose and Fermi statistics J. Mol. Liq. 90 11-20 2001
- A semi-classical approach to the dynamics of many-body Bose/Fermi systems by the path integral centroid molecular dynamics J. Chem. Phys. 114 1454-1466 2001
- A theoretical study on conductivity of model polymer including DNA base pairs SYNTHETIC METALS 119 259-260 2001
- Adiabatic population inversion in multilevel systems Int. J. Quantum. Chem. 80 1068-1075 2000
- Analysis of difference two-electron density matrix between two states of magnetic molecules Int. J. Quantum Chem 85 204-213 2001
- Calculation of quasiparticle energy of molecular systems by the GW method Int. J. Quantum Chem. 84 348-353 2001
- Control of intramolecular proton transfer by a laser field J. Phys. Chem. 105 8031-8037 2001
- Control of proton tautomerization using laser field SYNTHETIC METALS 121 1483-1484 2001
- Electronic structure calculation by Monte Carlo diagnalization method Int. J. Quantum Chem. 84 601-606 2001
- Exciton dynamics in model dendrimers Nonlinear Optics 26 193-200 2000
- Exciton Migration Pathways in Dendritic Molecular Aggregates Mol. Cryst. Liq. Cryst. 342 297-302 2000
- Generalized spin density functional theory for non-collinear molecular magnetism Int. J. Quantum. Chem. 80 664-671 2000
- Generalized spin orbital calculations of spin-flustrated molecules Int. J. Quantum Chem. 84 546-551 2001
- Generalized spin orbital GW thoery for spin-frustrated and spin-degenerated systems Int. J. Quantum Chem. 84 369-374 2001
- Generalized spin-density functional calculation for the spin frustrated systems Mol. Cryst. Liq. Cryst. 343 139-144 2000
- Intermolecular double proton transfer controlled by laser field SYNTHETIC METALS 121 1485-1486 2001
- Non Born-Oppenheimer density functional theory for excited states by using Green's function techniques Int. J. Quantum Chem. 84 354-362 2001
- Noncollinear spin density functional theory for spin-frustrated and spin-degenerated systems Int. J. Quantum Chem. 84 670-676 2001
- Polarizabilities of Dendritic Molecular Aggregates: Contribution of Exciton Generation Mol. Cryst. Liq. Cryst. 342 303-308 2000
- Possibilities of molecular magnetic metals and high Tc superconductors in field effect transistor configurations Int. J. Quantum Chem 85 619-635 2001
- Quantum spin dynamics in solution applicable to quantum computing J. Mol. Liq. 90 63-68 2001
- Quantum spin dynamics of antiferromagnetic ring with central excess spin SYNTHETIC METALS 121 1788-1789 2001
- Spatial contribution of virtual excitations to the second hyperpolarizabilities of fractal antenna molecular aggregates Nonlinear Optics 26 185-192 2000
- Spin-mediated superconductivity in cuprates, organic conductors and pi-d conjugated systems. Coordination Chemistry Review 226 235-249 2002
- Theoretical Studies on Anomalous Phases of Photo-doped Systems in Two-band Model J. Chem. Phys. 113 11237-11244 2000
- Theoretical studies on field-induced superconductivity in molecular crystals Int. J. Quantum Chem 85 608-618 2001
- Theoretical studies on magnetic behavior in clusters by the genetic algorithms Int. J. Quantum. Chem. 80 645-656 2000
- Theoretical Studies on Necessary Conditions for Reversible Photoinduced Magnetization: Cobalt-Iron Cyanide System Mol. Cryst. Liq. Cryst. 343 151-156 2000
- Theoretical studies on superconducting and other phases: Triplet superconductivity, ferromagnetism and ferromagnetic metal Int. J. Quantum. Chem. 80 721-732 2000
- Theoretical studies on the proton and electron transfer (PET) in a pseudo one-dimensional hydrogen bonded network system J. Mol. Liq. 90 69-74 2001
- Theoretical study on anomalous phases in organic systems with side chains SYNTHETIC METALS 121 1790-1791 2001
- Theoretical study on dependence of hyperpolarizability of one-dimensional ring system on the delocalization transition Int. J. Quantum Chem. 84 686-693 2001
- Theoretical study on dependency of conductivity on structure of the proton and electron coupled system Int. J. Quantum. Chem. 80 882-891 2000
- Theoretical study on exciton molecule in two-dimensional systems SYNTHETIC METALS 119 229-230 2001
- Theoretical study on magnetic quantum tunneling of anisotropic spin systems with magnetic field SYNTHETIC METALS 121 1784-1785 2001
- Theoretical study on magnetic structures of noncollinear magnets SYNTHETIC METALS 121 1786-1787 2001
- Conformations of Three Types of Ultra-Long-Chain Fatty Acids in Multicomponent Lipid Bilayers K. Kawaguchi, H. Nagao, H. Shindou, H. Noguchi Journal of Physical Chemistry B 126 9316-9324 2022
- Theoretical study on quantum dynamics of Bose system interacting with photon field Int. J. Quantum Chem. 84 401-408 2001
- Theoretical study on triplet superconducting phase and other phases in hole-doped ferromagnetic systems SYNTHETIC METALS 121 1792-1793 2001
- Theoretical study on van der Waals and charge transfer interactions between molecules SYNTHETIC METALS 120 765-766 2001
- Third-order nonlinear optical properties of fractal antenna molecular aggregates: effects of aggregate architecture Nonlinear Optics 26 177-184 2000
- Molecular Dynamics Study of Bilayer Asymmetry induced by Ion Concentration Gradient and Electronic Polarizability Kazutomo Kawaguchi, Seiichiro Ito, Hiroaki Saito, Hidemi Nagao Molecular Simulation, (2022) 1-7. 2022
- Theoretical study of dissociation process of Plastocyanins by PaCS-MD simulation Dian Fitrasari, Muhammad Saleh Arwansyah, Kazutomo Kawaguchi, Acep Purqon, Suprijadi, Hidemi Nagao Journal of Phys. Conference Series, (2022) 2207, 012021. 2022
- Theoretical study of complex aspirin and hydroxypropyl-¥beta-cyclodextrin in solvent phase Helima Jayyinunnisya, Lilih Siti Solihat, Kimikazu Sugimori, Kazutomo Kawaguchi, Hidemi Nagao Journal of Phys. Conference Series, (2022) 2207,012022 2022
- Conformation of ultra-long-chain fatty acid in lipid bilayer: Molecular dynamics study Kazutomo Kawaguchi, Koh Nakagawa, Satoshi Nakagawa, Hideo Shindou, Hidemi Nagao, Hiroshi Noguchi J. Chem Phys. 153 165101 2020
- Theoretical study on interaction of cytochrome f and plastocyanin complex by a simple coarse-grained model with molecular crowding effect Nakagawa Satoshi, Kurniawan Isman, Kodama Koichi, Arwansyah Muhammad Saleh, Kawaguchi Kazutomo, Nagao Hidemi MOLECULAR PHYSICS 116 666-677 2018
- Effects of Hydrophilic Residues and Hydrophobic Length on Flip-Flop Promotion by Transmembrane Peptides Nakao Hiroyuki, Hayashi Chihiro, Ikeda Keisuke, Saito Hiroaki, Nagao Hidemi, Nakano Minoru JOURNAL OF PHYSICAL CHEMISTRY B 122 4318-4324 2018
- Quantum Chemical Study of Axial Ligand Effect on the Electronic Properties of Type I Copper Protein Kurniawan Isman, Kawaguchi Kazutomo, Sugimori Kimikazu, Sakurai Takeshi, Nagao Hidemi CHEMISTRY LETTERS 47 1172-1175 2018
- A Theoretical Study on Redox Potential and pK(a) of [2Fe-25] Cluster Model from Iron-Sulfur Proteins Kurniawan Isman, Kawaguehi Kazutomo, Shoji Mitsuo, Matsui Toru, Shigeta Yasuteru, Nagao Hidemi BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 1451-1456 2018
- Decomposition analysis of free energy profile for Hsp90-ADP association K. Kawaguchi, H. Saito, and H. Nagao Molecular Simulation 42 896-901 2016
- Inverted micelle formation of cell-penetrating peptide studied by coarse-grained simulation: Importance of attractive force between cell-penetrating peptides and lipid head group Kawamoto, Shuhei;Takasu, Masako;Miyakawa, Takeshi;Morikawa, Ryota;Oda, Tatsuki;Futaki, Shiroh;Nagao, Hidemi JOURNAL OF CHEMICAL PHYSICS 134 9 0-0 2011
- Mutation-Induced Changes in Binding Affinity of Nsp3-SARS-Unique Domain (SUD): A Study on Indonesian SARS-CoV-2 Variants Dedy RENDRAWAN, Kazutomo KAWAGUCHI and Hidemi NAGAO Science Report of Kanazawa University 2025
- The Study of Structure and Interaction Aspirin/Hydroxypropyl-β-Cyclodextrin Complex in Various Solvents Using Molecular Dynamics Simulation Helmia JAYYINUNNISYA, Kazutomo KAWAGUCHI, Hidemi NAGAO Science Report of Kanazawa University 68 11-24 2025
- All-Atom Molecular Dynamics Simulations and Infrared Spectral Analysis of Myosin Lilih Siti SOLIHAT, Kazutomo KAWAGUCHI, Hidemi NAGAO Science Report of Kanazawa University 67 41-56 2024/03
Conference Presentations
- Binding Free Energy Shifts of Protein Complexes due to Amino Acid Mutations (conference：21st IUPAB Congress)(2024/06/24)
- Computational Study of Peak Position in One Dimensional Mesoscopic Reaction Diffusion System(conference：21st IUPAB Congress)(2024/06/24)
- Docking and Molecular Dynamics Simulation Study of BAK1 and BRI1 Proteins in Arabidopsis thaliana Plant (conference：21st IUPAB Congress)(2024/06/24)
- Binding free energy calculation for mutated protein complex system(2023/11/14)
- Targeting G-Quadruplex Structures in SARS-CoV-2 Nsp3; SARS Unique Domain (SUD) as a Novel Target of Pyridostatine Against Covid-19(2023/11/14)
- Theoretical Study of Solvent Effect and Stability of Complex Structure of Aspirin and Hydroxyprophyl-ß-Cyclodextrin by MD Simulation(2023/11/14)
- Theoretical studies on association/dissociation process of proteins(conference：SRPS2020)(2020/09/13)
- Theoretical Studies on Stability and Dynamics of Protein by a Coarse-grained Model (conference：XXIX IUPAP Conference on Computational Physics, CCP2017)(2017/07/09)
- Biophysics in Computational Science (conference：6th International Conference on Mathematics and Natural Science)(2016/11/02)
Others
Arts and Fieldwork
Patent
Theme to the desired joint research
Grant-in-Aid for Scientific Research
○「スピン共役電子系の理論計算」(2000-)
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2000-)
○「スピン共役電子系の理論計算」(2000-)
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2000-)
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2001-)
○「有機分子性結晶の外場誘導超伝導発現の論理的研究」(2001-)
○「グラナチラコイド形態形成膜タンパク質の膜変形パターンに関する理論的研究」(2023-2026)
○「光化学反応に於ける光照射ストレス下の電子伝達体ダイナミックスに関する理論的研究」(2014-2016)
○「分子系の引き込み現象発現可能性に関する理論的研究」(2011-2012)
Competitive research funding,Contribution
Collaborative research,Consignment study
Classes (Bachelors)
○Computational Molecular Science(2017)
○Presentation and Debate (Freshman Seminar II)(2017)
○International Training A(2017)
○Presentation and Debate (Freshman Seminar II)(2017)
○International Training B(2017)
○Mechanics 2(2017)
○Computer Experiments 1(2017)
○Research Work in Computational Experimental Science(2017)
○Bio-Science(2017)
○International Training A(2017)
○International Training A(2017)
○International Training A(2017)
○Freshman Seminar I(2017)
○International Training B(2017)
○International Training B(2017)
○International Training B(2017)
○International Training A(2016)
○Freshman Seminar I(2016)
○Presentation and Debate (Freshman Seminar II)(2016)
○Computer Experiments 2(2016)
○International Training B(2016)
○International Training A(2016)
○International Training B(2016)
○International Training A(2016)
○International Training A(2016)
○International Training B(2016)
○International Training B(2016)
Classes (Graduate Schools)
○Applied Computational Science b(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Computational Life Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Computational Life Science(2017)
○Computational Life Science(2017)
○Surveys in Computational Science(2017)
○Surveys in Computational Science(2017)
○Surveys in Computational Science(2017)
○Computational Life Science(2017)
○Surveys in Computational Science(2017)
○Computational Chemistry and Bioscience a(2017)
○Applied Computational Science a(2017)
○Seminar B(2017)
○Computational Chemistry and Bioscience b(2017)
○Research Work B(2017)
○Exercise B(2017)
○Computational Chemistry and Bioscience b(2016)
○Computational Chemistry and Bioscience a(2016)
○Applied Computational Science a(2016)
○Applied Computational Science b(2016)