YUSUKE KANEMATSU

Profile Information

Researcher number: 10765936
ORCID ID: https://orcid.org/0000-0003-3546-3198
J-GLOBAL ID: 202101006345252543
Researcher ID: AAI-8545-2021
researchmap Member ID: R000028322

Development and application of quantum-chemical computation methods

Research Interests

Research Areas

Research History

Oct, 2020

Assistant professor, Graduate School of Advanced Science and Engineering, Hiroshima University
Apr, 2020 - Sep, 2020

Researcher, Graduate School of Advanced Science and Engineering, Hiroshima University
Apr, 2017 - Mar, 2020

Special Postdoctoral Researcher, Hiroshima City University
Jan, 2015 - May, 2015

Yokohama City University
Sep, 2014 - Dec, 2014

Yokohama City University

Education

Apr, 2011 - Sep, 2014

Department of Nanosystem Science, Graduate School of Nanobioscience, Yokohama City University
Apr, 2009 - Mar, 2011

Department of Complex Systems Science, Graduate School of Information Science, Nagoya University
Apr, 2005 - Mar, 2009

Department of Chemistry, School of Science, Nagoya University

Papers

Elucidation of the Correlation between Heme Distortion and Tertiary Structure of the Heme-Binding Pocket Using a Convolutional Neural Network

Hiroko X. Kondo, Hiroyuki Iizuka, Gen Masumoto, Yuichi Kabaya, Yusuke Kanematsu, Yu Takano

Biomolecules, 12(9) 1172-1172, Aug 24, 2022
Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline

Taro Udagawa, Ikumi Hattori, Yusuke Kanematsu, Takayoshi Ishimoto, Masanori Tachikawa

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Jun, 2022
Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket

Hiroko X. Kondo, Masanori Fujii, Takuma Tanioka, Yusuke Kanematsu, Takashi Yoshida, Yu Takano

Journal of Chemical Information and Modeling, Feb 14, 2022
Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model.

Yuka Kimura, Yusuke Kanematsu, Hiroki Sakagami, David S Rivera Rocabado, Tomomi Shimazaki, Masanori Tachikawa, Takayoshi Ishimoto

The journal of physical chemistry. A, 126(1) 155-163, Jan 13, 2022
H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O-and D2O-ice Ih(0001) basal surfaces based on the combined plane wave and localized basis set method

Takayoshi Ishimoto, Hiroki Sakagami, Yusuke Kanematsu, Masanori Tachikawa

APPLIED SURFACE SCIENCE, 561, Sep, 2021
Short-lived intermediate in N2O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography

Takashi Nomura, Tetsunari Kimura, Yusuke Kanematsu, Daichi Yamada, Keitaro Yamashita, Kunio Hirata, Go Ueno, Hironori Murakami, Tamao Hisano, Raika Yamagiwa, Hanae Takeda, Chai Gopalasingam, Ryota Kousaka, Sachiko Yanagisawa, Osami Shoji, Takashi Kumasaka, Masaki Yamamoto, Yu Takano, Hiroshi Sugimoto, Takehiko Tosha, Minoru Kubo, Yoshitsugu Shiro

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 118(21), May, 2021
A computational examination of the electric-field-induced proton transfer along the interface hydrogen bond between proton donating and accepting self-assembled monolayers

Yusuke Kanematsu, Hiroyuki S. Kato, Shinya Yoshimoto, Akira Ueda, Susumu Yamamoto, Hatsumi Mori, Jun Yoshinobu, Iwao Matsuda, Masanori Tachikawa

Chemical Physics Letters, 741 137091-137091, Feb, 2020
Computational study of distortion effect of Fe-porphyrin found as a biological active site

Yusuke Kanematsu

Japanese Journal of Applied Physics, 59(1), Dec 17, 2019
Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins

Yusuke Kanematsu, Hiroko X. Kondo, Yasuhiro Imada, Yu Takano

Chemical Physics Letters, 710 108-112, Oct, 2018
Strong Hydrogen Bonds at the Interface between Proton-Donating and -Accepting Self-Assembled Monolayers on Au(111)

Kato, H.S., Yoshimoto, S., Ueda, A., Yamamoto, S., Kanematsu, Y., Tachikawa, M., Mori, H., Yoshinobu, J., Matsuda, I.

Langmuir, 34(5) 2189-2197, 2018
Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, Κ-H<inf>3</inf>(Cat EDT-ST)<inf>2</inf>

Yamamoto, K., Kanematsu, Y., Nagashima, U., Ueda, A., Mori, H., Tachikawa, M.

Chemical Physics Letters, 674 168-172, 2017
Applicability of density functional tight binding method with dispersion correction to investigate the adsorption of porphyrin/porphycene metal complexes on graphene

Kanematsu, Y., Gohara, K., Yamada, H., Takano, Y.

Chemistry Letters, 46(1) 51-+, 2017
Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate

Tosha, T., Nomura, T., Nishida, T., Saeki, N., Okubayashi, K., Yamagiwa, R., Sugahara, M., Nakane, T., Yamashita, K., Hirata, K., Ueno, G., Kimura, T., Hisano, T., Muramoto, K., Sawai, H., Takeda, H., Mizohata, E., Yamashita, A., Kanematsu, Y., Takano, Y., Nango, E., Tanaka, R., Nureki, O., Shoji, O., Ikemoto, Y., Murakami, H., Owada, S., Tono, K., Yabashi, M., Yamamoto, M., Ago, H., Iwata, S., Sugimoto, H., Shiro, Y., Kubo, M.

Nature Communications, 8(1), 2017
Theoretical study of the H/D isotope effect on phase transition of hydrogen-bonded organic conductor κ-H3(Cat-EDT-TTF)2

Yusuke Kanematsu

Physical Chemistry Chemical Physics, 18(43) 29673-29680, 2016
Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein

Kanematsu, Y., Kamikubo, H., Kataoka, M., Tachikawa, M.

Computational and Structural Biotechnology Journal, 14 16-19, 2016
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile

Kanematsu, Y., Tachikawa, M., Takano, Y.

Journal of Computational Chemistry, 37(23) 2140-2145, 2016
Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism

Hamada, Y., Kanematsu, Y., Tachikawa, M.

Biochemistry, 55(40) 5764-5771, 2016
Isotope effect on the circular dichroism spectrum of methyl α-D-glucopyranoside in aqueous solution

Kanematsu, Y., Kamiya, Y., Matsuo, K., Gekko, K., Kato, K., Tachikawa, M.

Scientific Reports, 5, 2015
Performance test of multicomponent quantum mechanical calculation with polarizable continuum model for proton chemical shift

Kanematsu, Y., Tachikawa, M.

Journal of Physical Chemistry A, 119(20) 4933-4938, 2015
Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme

Kanematsu, Y., Tachikawa, M.

Journal of Chemical Physics, 141(18), 2014

Misc.

Radical Self-Induction in a Proton-Donor/Acceptor Bilayer

加藤浩之, 上田顕, 藤野智子, 兼松佑典, 山田剛司, 立川仁典, 吉信淳, 森初果

分子科学討論会講演プログラム&要旨(Web), 15th, 2021
水素結合型有機伝導体κ-H₃(Cat-EDT-ST)₂におけるH/D同位体効果の理論的解析

山本魁知, 兼松佑典, 長嶋雲兵, 上田顕, 森初果, 立川仁典

分子科学討論会講演プログラム&要旨(Web), 10th, 2016

Teaching Experience

Oct, 2020 - Feb, 2021

chemical experiment (Hiroshima University)

Research Projects

励起状態化学反応解析のための量子多成分系理論の確立と応用計算

科学研究費助成事業基盤研究(C), 日本学術振興会, Apr, 2021 - Mar, 2024

宇田川太郎, 兼松佑典
ヘムのツボを押さえて使うための構造機能相関解析ツール「PyDISH」の開発

科学研究費助成事業若手研究, 日本学術振興会, Apr, 2021 - Mar, 2024

兼松佑典
重水素科学のための基礎理論の構築と新概念の創出

科学研究費助成事業学術変革領域研究(B), 日本学術振興会, Oct, 2020 - Mar, 2023

石元孝佳, 兼松佑典, 宇田川太郎
速度論的Ｈ／Ｄ同位体効果の新規理論解析手法の開発

科学研究費助成事業特別研究員奨励費, 日本学術振興会, Apr, 2017 - Mar, 2020

兼松佑典
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), Japan Society for the Promotion of Science, Jul, 2014 - Mar, 2019

Takano Yu, SHIGETA yasuteru, KAMIYA katsumasa, SHOJI mitsuo, KONDO hiroko x.

Profile Information

Research Interests

Research Areas

Research History

Education

Papers

Misc.

Teaching Experience

Research Projects

Menu

Coauthors