Rchr
J-GLOBAL ID：201901007265935664
Update date: Jan. 30, 2024
Mitsuta Yuki
Mitsuta Yuki
Affiliation and department：
Research field (1)：
Bio-, chemical, and soft-matter physics
Research keywords (2)：
Molecular Dynamics Simulation
, Computational Chemistry
Research theme for competitive and other funds (2)：
- 2023 - 2028 Theory of mesohierarchy
- 2019 - 2022 自由エネルギー反応経路探索法によるタンパク質リガンド結合の計算手法開発
Papers (15)：
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Yuki Mitsuta, Toshio Asada. Curvature-weighted nudged elastic band method using the Riemann curvature. Journal of Computational Chemistry. 2022. 44. 5. 662-669
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Yuki Mitsuta, Toshio Asada, Yasuteru Shigeta. Calculation of the permeability coefficients of small molecules through lipid bilayers by free-energy reaction network analysis following the explicit treatment of the internal conformation of the solute. Physical Chemistry Chemical Physics. 2022
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Koki Yanagi, Yuki Mitsuta, Kenta Takaoka, Teruyuki Takahashi, Kowit Hengphasatporn, Ryuhei Harada, Yasuteru Shigeta. Solubility and Membrane Permeability of Cyclic Dipeptides Approximately Estimated by Quantum Chemistry and Molecular Dynamics Calculations. Chemistry Letters. 2021. 50. 12. 1964-1967
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Yuki Mitsuta, Yasuteru Shigeta. Analytical Method Using a Scaled Hypersphere Search for High-Dimensional Metadynamics Simulations. Journal of Chemical Theory and Computation. 2020. 16. 6. 3869-3878
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Kitakawa Colin K, Maruyama Tomohiro, Oonari Jinta, Mitsuta Yuki, Kawakami Takashi, Okumura Mitsutaka, Yamaguchi Kizashi, Yamanaka Shusuke. Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems. MOLECULES. 2019. 24. 4
ｍore...
Education (3)：
- 2016 - 2019 Osaka University
- 2014 - 2016 Osaka University
- 2010 - 2014 Osaka University School of Science
Professional career (1)：
Work history (3)：
- 2022/04 - 現在 Osaka Metropolitan University Graduate School of Science Department of Chemistry
- 2021/04 - 2022/03 Osaka Prefecture University Graduate School of Science Department of Chemistry
- 2019/04 - 2021/03 University of Tsukuba Center for Computational Sciences
Association Membership(s) (3)：
分子シミュレーション学会
, 分子科学会
, 日本化学会
