究業績

原著論文


    2017
  1. "Heterogeneous catalase-like activity of gold(I)–cobalt(III) metallosupramolecular ionic crystals"
    Yamada, Mihoko; Yoshinari, Nobuto; Kuwamura, Naoto; Saito, Toru; Okada, Satoshi; Maddala, Sai Prakash; Harano, Koji; Nakamura, Eiichi; Yamagami, Kohei; Yamanaka, Keisuke; Sekiyama, Akira; Suenobu, Tomoyoshi; Yamada, Yusuke; Konno, Takumi*
    Chem. Sci. 2017, 8, 2671-2676.

  2. "Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein folding"
    Hadara, Ryuhei*; Takano, Yu; Shigeta, Yasuteru
    J. Comput. Chem. 2017, 38, 790-797.


  3. "Applicability of Density Functional Tight Binding Method with Dispersion Correction to Investigate the Adsorption of Porphyrin/Porphycene Metal Complexes on Graphene"
    Kanematsu, Yusuke*; Gohara, Kazutoshi; Yamada, Hiroko ; Takano, Yu*
    Chem. Lett. 2017, 46, 51-52.

  4. 2016
  5. "医療分野を担う情報処理技術者の育成 -広島市立大学情報科学部医用情報科学科の学生実験-"
    福田浩士,中野靖久,藤原久志,香田次郎,常盤達司
    日本神経回路学会誌 2016, 23, 146–152.

  6. "Reparameterization of PM6 applied to organic diradical molecules"
    Saito, Toru*; Kitagawa, Yasutaka; Takano, Yu
    J. Phys. Chem. A 2016, 120, 8750–8760.

  7. "Recycling of biodiesel fuel wastewater for use as a liquid fertilizer for hydroponics"
    Kohda, Jiro*; Nakano, Yasuhisa; Kugimiya, Akimitsu; Takano, Yu; Yano, Takuo
    J. Mater. Cycles Waste Manag. 2016, 1-9.

  8. "Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile."
    Kanematsu, Yusuke*; Tachikawa, Masanori; Takano, Yu*
    J. Comput. Chem. 2016, 37, 2140-2145.
    Front cover of J. Comput. Chem.


  9. "Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations."
    Kamiya, Narutoshi*; Mashimo, Tadaaki; Takano, Yu; Kon, Takahide; Kurisu, Genji; Nakamura, Haruki
    Protein Eng. Des. Sel. 2016, 29, 317-326.

  10. "TaBoo SeArch algorithm with a modified inverse histogram for reproducing biologically relevant rare events of proteins."
    Harada, Ryuhei*; Takano, Yu*; Shigeta Yasuteru*
    J. Chem. Theory Comput. 2016, 12, 2436-2445.

  11. "QM/MM study of hydrolysis of arginine catalysed by arginase."
    Saito Toru*; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka
    Mol. Phys. 2016, 114, 431-439.

  12. "Nearsightedness-related indices of finite systems based on linear response function:one dimensional cases."
    Mitsuta, Yuki; Yamanaka, Shusuke*; Saito, Toru; Kawakami, Takashi; Yamaguchi, Kizashi; Okumura, Mitsutaka; Nakamura, Haruki
    Mol. Phys. 2016, 114, 380-388.

  13. "Structural basis for the membrane association of ankyrin G via palmitoylation."
    Fujiwara, Yuichiro*; Kondo, Hiroko X.; Shirota, Matsuyuki; Kobayashi Megumi; Takeshita, Kohei; Nakagawa, Atsushi; Okamura Yasushi; Kinoshita Kengo*
    Sci. Rep. 2016, 6, 23981(1-11).

  14. "Flow analysis of amino acids by using a newly developed aminoacyl-tRNA synthetase–immobilized, small reactor column–based assay."
    Kugimiya, Akimitsu*; Konishi, Hidenori; Fukada, Rie
    Appl. Biochem. Biotech. 2016, 178, 924-931.

  15. "Development of massive multi-level molecular dynamics simulation program, Platypus (PLATform for dYnamic Protein Unified Simulation), for the elucidation of protein functions."
    Takano, Yu*; Nakata, Kazuto; Yonezawa, Yasushige; Nakamura, Haruki
    J. Comput. Chem. 2016, 37, 1125-1132.

  16. "Direct interaction between the voltage-sensors produces coorperative sustained deactivation in voltage-gated H+ channel dimers."
    Okuda, Hiroko; Yonezawa, Yasushige; Takano, Yu; Okamura, Yasushi; Fujiwara, Yuichiro*
    J. Biol. Chem. 2016, 291, 5935–5947.

  17. "Density functional study of molecular interactions in secondary structures of proteins."
    Takano, Yu*; Kusaka, Ayumi; Nakamura, Haruki
    Biophysics and Physicobiology 2016, 13, 27-35.

  18. 2015
  19. "Chemiluminescence detection of serine, proline, glycine, asparagine, leucine, and histidine by using corresponding aminoacyl-tRNA synthetases as recognition elements."
    Kugimiya, Akimitsu*; Fukada, Rie
    Appl. Biochem. Biotech. 2015, 176, 1195-1202.

  20. "Efficient conformational sampling of proteins based on a multi-dimensional inverse histogram: An application to folding of chignolin in explicit solvent."
    Harada, Ryuhei*; Takano, Yu*; Shigeta, Yasuteru*
    Chem. Phys. Lett. 2015, 630, 68-75.

  21. "Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: Application to the folding of a mini-protein, chignolin."
    Harada, Ryuhei*; Takano, Yu*; Shigeta, Yasuteru*
    J. Comput. Chem. 2015, 36, 763-772.

  22. "Protein folding pathways extracted by OFLOOD: Outlier FLOODing method."
    Harada, Ryuhei*; Nakamura, Tomotake; Takano, Yu; Shigeta, Yasuteru*
    J. Comput. Chem. 2015, 36, 97-102.