研究業績

原著論文・総説


    2024
  1. "Nitrosation mechanisms, kinetics, and dynamics of the guanine and 9-methylguanine radical cations by nitric oxide—Radical–radical combination at different electron configurations"
    Benny, Jonathan; Saito, Toru*; Liu, Jianbo*
    J. Chem. Phys. 2024, 161, 125101.

  2. "Quantitative evaluation of noncovalent interactions with negative fragmentation approach including basis set superposition error correction"
    Takano, Yu*; Kondo, Hiroko X.; Nakamura, Haruki
    Bull. Chem. Soc. Jpn. 2024, 97, uoae091.


  3. "Structure comparison of heme-binding sites in heme protein predicted by AlphaFold3 and AlphaFold2"
    Kondo, Hiroko X.*; Takano, Yu*
    Chem. Lett. 2024, 53, upae0148.

  4. "Negative Fragmentation Approach と密度汎関数法で迫るヘリックス構造における主鎖水素結合エネルギー"
    近藤寛子・鷹野優
    生物物理 2024, 64, 89-93.

  5. "C-H Bond dissociation enthalpy prediction with machine learning reinforced semi-empirical quantum mechanical calculations"
    Kaneko, Miki; Takano, Yu; Saito, Toru*
    Chem. Lett. 2024, 53, upae016.

    6. 2023
  6. "Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model"
    Kanematsu, Yusuke*; Kondo, Hiroko X.; Takano, Yu*
    Int. J. Mol. Sci. 2023, 24, 17172.

  7. "Semi-empirical and machine learning-based prediction of site of metabolisms mediated by aldehyde oxidase"
    Shiotake, Yuto; Takano, Yu; Saito, Toru*
    Chem. Phys. Lett. 2023, 833, 140942.

  8. "Random Forest Classifier of Heme Proteins Using Porphyrin Distortions and Axial Ligands of Heme"
    Fujikawa, Hinako; Kondo, Hiroko X.; Kanematsu, Yusuke; Takano, Yu*
    Chem. Lett. 2023, 52, 503-507

  9. "Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study"
    Suenaga, Shunya; Takano, Yu; Saito, Toru*
    Molecules 2023, 28, 2697

  10. "Highly Sensitive Colorimetric Detection of Histidine Using Histidyl-tRNA Synthetase as the Bioreceptor""
    Kugimiya, Akimitsu*; Kawamura, Akari; Kohda, Jiro; Nakano, Yasuhisa; Takano, Yu
    Biomed. Mater. Dev. 2023, 1, 1022-1027

  11. "Negative fragmentation approach for investigating the depolarization effect of neighboring residues on hydrogen bonds in π-helix"
    Kondo, Hiroko X.*; Nakamura, Haruki; Takano, Yu*
    Chem. Phys. Lett. 2023, 815, 140361


  12. "開殻電子状態を有する生体高分子の分子シミュレーション"
    齋藤徹
    アンサンブル 2023, 25, 13-18.


  13. "Development of serial X-ray fluorescence holography for radiation-sensitive protein crystals"
    Ang, Artoni Kevin R.*; Umena, Yasufumi; Sato-Tomita, Ayana; Shibayama, Naoya; Happo, Naohisa; Marumi, Riho; Yamamoto, Yuta; Kimura, Koji; Kawamura, Naomi; Takano, Yu; Matsushita, Tomohiro; Sasaki, Yuji C.; Shen, Jian-Ren; Hayashi, Kouichi
    J. Synchrotron Rad. 2023, 30, 368-378

  14. "Quantum chemical studies on hydrogen bonds in helical secondary structures"
    Takano, Yu*; Kondo, Hiroko X.; Nakamura, Haruki
    Biophys. Rev. 2022, 14, 1369-1378.

  15. "Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network"
    Kondo, Hiroko X.*; Iizuka, Hiroyuki; Masumoto, Gen; Kabaya, Yuichi; Kanematsu, Yusuke; Takano, Yu*
    Biomolecules 2023, 13, 137.

    16. 2022
  16. "Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations"
    Nakayoshi, Tomoki*; Ohnishi, Yusuke; Tanaka, Hideaki; Kurisu, Genji; Kondo, Hiroko X.; Takano, Yu*
    Int. J. Mol. Sci. 2022, 23, 15913.

  17. "Structures and mechanisms of actin ATP hydrolysis"
    Kanematsu, Yusuke*; Narita, Akihiro; Oda, Toshiro; Koike, Ryotaro; Takano, Yu; Moritsugu, Kei; Fujiwara, Ikuko; Tanaka, Kotaro; Komatsu, Hideyuki; Nagae, Takayuki; Watanabe, Nobuhisa; Iwasa, Mitsusada; Maeda, Yuichiro*; Takeda, Shuichi*
    Proc. Natl. Acad. Sci. USA 2022, 119, e2122641119.

  18. "Effects of Light-emitting Diode Irradiation Pattern on the Anthocyanin Content of Broccoli Sprouts in a Plant Factory for the Production of Functional Foods"
    Kohda, Jiro*; Sasaki, Rio; Suzuki, Rikuto; Kugimiya, Akimitsu; Nakano, Yasuhisa; Takano, Yu
    Jpn. J. Food. Eng. 2022, 23, 71-83.

  19. "Conformational Preference of Flavonols and Its Effect on the Chemical Properties Involved in Radical Scavenging Activity"
    Kondo, Hiroko X.*; Takano, Yu*
    Chemistry 2022, 4, 1123-1135.

  20. "Elucidation of the Correlation between Heme Distortion and Tertiary Structure of the Heme-Binding Pocket Using a Convolutional Neural Network"
    Kondo, Hiroko X.*; Iizuka, Hiroyuki; Masumoto, Gen; Kabaya, Yuichi; Kanematsu, Yusuke*; Takano, Yu*
    Biomolcules 2022, 12, 1172.

  21. "Depolarizing Effects in Hydrogen Bond Energy in 310-Helices Revealed by Quantum Chemical Analysis"
    Kondo, Hiroko X.*; Nakamura, Haruki; Takano, Yu*
    Int. J. Mol. Sci. 2022, 23, 9032.

  22. "Singlet O2 Oxidation of the Radical Cation versus the Dehydrogenated Neutral Radical of 9-Methylguanine in a Watson-Crick Base Pair. Consequences of Structural Context"
    Moe, May Myat; Saito, Toru; Tsai, Midas.; Liu, Jianbo*
    J. Phys. Chem. B 2022, 126, 5458-5472.

  23. "Structure of Heme-binding Pocket in Heme Protein is Generally Rigid and can be Predicted by AlphaFold2"
    Kondo, Hiroko X.*; Kanematsu, Yusuke; Takano, Yu*
    Chem. Lett. 2022, 51, 704-708.

  24. "Evaluation of an Appropriate Standard Hydrogen Electrode Potential for Computing Redox Potentials of Catechins with Density Functional Theory"
    Duan, Lian; Takano, Yu*; Shigeta, Yasuteru*
    Chem. Lett. 2022, 51, 673-677.

  25. "Predicting reaction mechanisms for the threonine-residue stereoinversion catalyzed by a dihydrogen phosphate ion"
    Nakayoshi, Tomoki; Kato, Koichi; Kurimoto, Eiji; Takano, Yu; Oda, Akifumi*
    ACS Omega 2022, 7, 18306-18314.

  26. "QM/MM molecular dynamics simulations revealed catalytic mechanism of urease"
    Saito, Toru*; Takano, Yu
    J. Phys. Chem. B 2022, 126, 2087-2097.


  27. "Global analysis of heme proteins to elucidate the correlation between heme distortion and heme-binding pocket"
    Kondo, Hiroko X.*; Fujii, Masanori; Tanioka, Takuma; Kanematsu, Yusuke; Yoshida, Takashi; Takano, Yu*
    J. Chem. Inf. Model. 2022, 62, 775-784.

  28. "Development of a one-step analysis method for several amino acids using a microfluidic paper-based analytical device"
    Kugimiya, Akimitsu*; Wakimoto, Sho; Kohda, Jiro; Nakano, Yasuhisa; Takano, Yu
    Sci. Rep. 2022, 12, 3427.

  29. "Analysis of fluctuation in the heme-binding pocket and heme distortion in hemoglobin and myoglobin"
    Kondo, Hiroko X.*; Takano, Yu
    Life 2022, 12, 210.

  30. "Singlet O2 Reactions with Radical Cations of 8-Bromoguanine and 8-Bromoguanosine: Guided-Ion Beam Mass Spectrometric Measurements and Theoretical Treatments"
    Benny, Jonathan.; Saito, Toru*; Moe, May Myat; Liu, Jianbo*
    J. Phys. Chem. A 2022, 126, 68-79.

    31. 2021
  31. "第一原理計算によるカテキンの酸化還元電位の理論予測"
    Duan, Lian; Takano, Yu*; Shigeta, Yasuteru*
    J. Comput. Chem. Jpn. 2021, 20, 137-139.

  32. "Short-lived intermediate in N2O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography"
    Nomura, Takashi; Kimura, Tetsunari; Kanematsu, Yusuke; Yamada, Daichi; Yamashita, Keitaro; Hirata, Kunio; Ueno, Go; Murakami, Hironori; Hisano, Tamao; Yamagiwa, Raika; Takeda, Hanae; Gopalasingam, Chai; Kousaka, Ryota; Ynagisawa, Sachiko; Shoji, Osami; Kumasaka, Takashi; Yamamoto, Masaki; Takano, Yu; Sugimoto, Hiroshi; Tosha, Takehiko*; Kubo, Minoru*; Shiro, Yoshitsugu*
    Proc. Natl. Acad. Sci. USA 2021, 118, e2101481118.

  33. "Spin‐projected QM/MM free energy simulations for oxidation reaction of guanine in B-DNA by singlet oxygen"
    Saito, Tohru*; Takano, Yu
    ChemPhysChem 2021, 22, 561-568.

    34. 2020
  34. "PyDISH: Database and analysis tools for heme porphyrin distortion in heme proteins"
    Kondo, Hiroko X.*; Kanematsu, Yusuke*; Masumoto, Gen; Takano, Yu*
    Database: The Journal of Biological Databases and Curation 2020, 2020, baaa066.

  35. "Quantitative assessment of reparameterized PM6 (rPM6) for hydrogen abstraction reactions"
    Saito, Toru*; Kambara, Hiroki; Takano, Yu
    Mol. Phys. 2020, 118, e1700313.

  36. "Microfluidic paper-based analytical device for histidine determination"
    Kugimiya, Akimitsu*; Fujikawa, Akane; Jiang, Xiao; Fan, Z. Hugh; Nishida, Toshikazu; Kohda, Jiro; Nakano, Yasuhisa; Takano, Yu
    Appl. Biochem. Biotech. 2020, 192, 812-821.

    37. 2019
  37. "Effects of a remote mutation from the contact paratope on the structure of CDR-H3 in an anti-HIV neutralizing antibody PG16"
    Kondo Hiroko X.*; Kiribayashi, Ryo , Kuroda, Daisuke*; Saito, Toru; Kohda, Jiro; Kugimiya Akimitsu; Nakano, Yasuhisa; Tsumoto, Kohei; Takano, Yu*
    Sci. Rep. 2019, 9, 19840.

  38. "Hydrogen bond energies in alpha-helical peptides revealed by precise DFT calculations and molecular tailoring approach"
    Kondo, Hiroko X.*; Nakamura, Haruki; Takano, Yu*
    J. Comput. Chem. 2019, 40, 2043-2052.

  39. "Singlet-Triplet Energy Gaps in Binuclear Copper Complexes and Organic Diradicals by Approximate Spin Projected Spin-unrestricted Coupled Cluster Method"
    Saito, Toru*; Takano, Yu
    Chem. Lett. 2019, 48, 1441-1444.

    40. 2018
  40. "Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results"
    Saito, Toru*; Fujiwara, Manami; Takano, Yu
    Molecules 2018, 23, 3332.

  41. "UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model"
    Kawakami, Takashi; Miyagawa, Koichi; Sharma, Sandeep; Saito, Toru*; Shoji, Mitsuo; Yamada, Satoru; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi
    J. Comput. Chem. 2018, 40, 333-341.

  42. "Transition State Search Using rPM6: Iron- and Manganese-catalyzed Oxidation Reactions as a Test Case"
    Saito, Toru*; Takano, Yu
    Bulletin of the Chemical Society of Japan 2018, 91, 1377-1389.

  43. "Zn2+-binding to the voltage-gated proton channel Hv1/VSOP"
    Iwaki, Masayo; Takeshita, Kohei; Kondo, Hiroko X.; Okamura, Yasushi; Takano, Yu; Nakagawa, Atsushi; Kandori, Hideki*
    J. Phys. Chem. B 2018, 122, 9076-9080.

  44. "Statistical and quantum-chemical analysis of heme porphyrin distortion effect in heme proteins: differences between oxidoreductases and oxygen carrier proteins"
    Kanematsu, Yusuke*;Imada, Yasuhiro; Kondo, Hiroko X.; Takano, Yu*
    Chem. Phys. Lett. 2018, 710, 108-112.

  45. "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 Chemistr 2018, 71, 57-68.

  46. "Approximate spin projection for broken-symmetry method and its application"
    in Symmetry (Group Theory) and Mathematical Treatment in Chemistry, Takashiro Akitsu, ed, (Chapter 7)
    Kitagawa, Yasutaka; Saito, Toru ; Yamaguchi, Kizashi
    IntechOpen 2018, 121-139.

  47. "A Bis(μ-oxido)dinickel(III) Complex with a Triplet Ground State"
    Morimoto, Yuma*; Takagi, Yusaku; Saito, Toru ; Ohta, Takehiro; Ogura, Takashi; Tohnai, Norimitsu; Nakano, Motohiro; Itoh Shinobu*
    Angew. Chem. Int. Ed. 2018, 57, 7640-7643.

  48. "Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials"
    Takano, Yu; Kobayashi, Nobuhiko; Morikawa, Yoshitada
    J. Phys. Soc. Jpn. 2018, 87, 061013.

  49. "The evolutionary process of mammalian sex determination genes focusing on marsupial SRYs"
    Katsura, Yukako; Kondo, Hiroko X.; Ryan, Janelle; Harley, Vincent; Satta, Yoko
    BMC Evol. Biol. 2018, 18, 3.

  50. "rPM6 parameters for phosphorous and sulphur-containing open-shell molecules"
    Saito, Toru*; Takano, Yu
    Mol. Phys. 2018, 116, 602-610.

  51. "Strong Hydrogen-Bonds at the interface between Proton-Donating and Accepting Self-Assembled Monolayers on Au(111)"
    Kato Hiroyuki; Yoshimoto, Shinya; Ueda, Akira; Yamamoto, Susumu; Kanematsu, Yusuke; Tachikawa, Masanori; Mori, Hatsumi; Yoshinobu, Jun; Matsuda, Iwao
    Langmuir 2018, 34, 2189-2197.

  52. "Density functional study of porphyrin distortion effects on redox potential of heme"
    Imada, Yasuhiro; Nakamura, Haruki; Takano, Yu*
    J. Comput. Chem. 2018, 39(3), 143-150.


    53. 2017
  53. "Capturing an initial intermediate during enzymatic reaction of P450nor using time-resolved XFEL crystallography and caged-substrate"
    Tosha, Takehiko; Nomura, Takashi; Nishida, Takuma; Saeki, Naoya; Okubayashi, Kouta; Yamagiwa, Raika; Sugahara, Michihiro; Nakane, Takanori; Yamashita, Keitaro; Hirata, Kunio; Ueno, Go; Kimura, Tetsunari; Hisano, Tamao; Muramoto, Kazumasa; Sawai, Hitomi; Takeda, Hnae; Mizobata, Eiichi; Yamashita, Ayumi; Kanematsu, Yusuke; Takano, Yu; Nango, Eriko; Tanaka, Rie; Nureki, Osamu; Ikemoto, Yuka; Murakami, Nironori; Owada, Shigeki; Tono, Kensuke; Yabashi, Makina; Yamamoto, Masaki; Ago, Hideo; Iwata, So; Sugimoto, Hiroshi*; Shiro, Yoshitsugu*; Kubo, Minoru*
    Nat. Comm. 2017, 8, 1585.

  54. "Theoretical Study of Magnetic Interaction in Pyrazole-bridged Dinuclear Cu(II) Complex"
    Miyagi, Koji; Kitagawa, Yasutaka*; Asaoka, Mizuki; Teramoto, Rena; Natori, Yoshiki; Saito, Toru; Nakano, Masayoshi*
    Polyhedron 2017, 136, 132-135.

  55. "Density functional study of the magneto-structural correlations of manganese complexes, [Mn2O2Hn(salpn)2]+(2-n) (n=0-2) from the viewpoint of the protonation modes of the bridging oxygen anions"
    Miyagawa, Koichi; Komi, Kyohei; Ohnari, Jinta; Maruyama, Tomohiro; Yamanaka, Shusuke*; Saito, Toru; Kawakami, Takashi; Yamaguchi, Kizashi; Okumura, Mitsutaka
    Polyhedron 2017, 136, 102-109.

  56. "Assessment of Semi-empirical Molecular Orbital Calculations for Describing Magnetic Interactions"
    Saito, Toru*; Kitagawa, Yasutaka; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka; Takano, Yu
    Polyhedron 2017, 136, 52-57.

  57. "Quantum Mechanics Study on Synthetic Models of Copper-containing Quercetin 2,4-Dioxygenase"
    Numata, Takahiro; Saito, Toru*; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka
    Polyhedron 2017, 136, 45-51.

  58. "rPM6 Parameters for Manganese and Application to Transition State Search for Oxidation Reactions of Cyclohexane by Manganese(IV)-Oxo Species"
    Saito, Toru*; Takano, Yu
    Chem. Lett. 2017, 46, 1567-1569.

  59. "Full-valence density matrix renormalization group calculations on meta-benzyne, based on unrestricted natural orbitals Revisit of seamless continuation from broken-symmetry to symmetry-adapted models for diradicals"
    Kawakami, Takashi*; Saito, Toru; Sharma Sandeep; Yamanaka, Shusuke; Yamada, Satoru; Nakajima Takahito; Okumura, Mitsutaka; Yamaguchi, Kizashi*
    Mol. Phys. 2017, 115, 2267-2284.

  60. "UNO DMRG CI Calculations of Effective Exchange Integrals for m-Phenylene-bis-methylene Spin Clusters"
    Kawakami, Takashi*; Sano, Shinsuke; Saito, Toru; Sharma Sandeep; Shoji, Mitsuo; Yamada, Satoru; Takano, Yu; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima Takahito; Yamaguchi, Kizashi*
    Mol. Phys. 2017, 115, 2154-2167.

  61. "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.

  62. "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.


  63. "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.

    64. 2016
  64. "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.

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

  66. "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. 2017, 19, 999-1007.

  67. "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.


  68. "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.

  69. "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.

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

  71. "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.

  72. "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).

  73. "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.

  74. "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.

  75. "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.

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

    77. 2015
  77. "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.

  78. "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.

  79. "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.

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