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K

Kenji Yasuoka

mechanical engineering

47H-index
414Paper Count
7.2KCitation Count
Published Papers 137
Publication Date
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Residue‑resolved dynamically averaged interaction analysis of direct factor Xa inhibitors by MD‑FMO combination calculations
errJournal of Computer-Aided Molecular Design
IF3.1
err2026-05-29
err0
errOAAI
errRyohei Yoshine; Yoshinori Hirano; Hideo Doi; Shun Kitahara; Kazuki Akisawa; Koji Okuwaki; Eiji Yamamoto; Kenji Yasuoka; Yuji Mochizuki
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Correction to “Coarse-Grained Model of Disordered RNA for Simulations of Biomolecular Condensates”
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-07
err0
PREAI
errIkki Yasuda; Sören von Bülow; Giulio Tesei; Eiji Yamamoto; Kenji Yasuoka; Kresten Lindorff-Larsen
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errSave
Enhanced Premelting at the Ice-Rubber Interface Using All-Atom Molecular Dynamics Simulation
errLANGMUIR
IF3.9
err2026-01-01
err0
PREAI
errKojima, Takumi; Yasuda, Ikki; Sato, Takumi; Arai, Noriyoshi; Yasuoka, Kenji
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Water–ethanol separation with Janus tip charged carbon nanotubes
errPhys. Chem. Chem. Phys.
IF2.9
err2025-11-19
err0
PREAI
errYûi Ono; Eiji Yamamoto; Kenji Yasuoka
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errSave
Navigating Phase Transitions with Path-Finding Algorithms: A Strategic Approach to Replica Exchange Monte Carlo
errJournal of Chemical Information and Modeling
IF5.3
err2025-10-11
err0
PREAI
errAkie Kowaguchi; Katsuhiro Endo; Kentaro Nomura; Shuichi Kurabayashi; Paul E. Brumby; Kenji Yasuoka
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Automated Quantitative Evaluation of Age-Related Thymic Involution on Plain Chest CT
errAnnals of Biomedical Engineering
IF5.4
err2025-07-19
err0
PREAI
errYuki T. Okamura; Katsuhiro Endo; Akira Toriihara; Issei Fukuda; Jun Isogai; Yasunori Sato; Kenji Yasuoka; Shin-Ichiro Kagami
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Coarse-Grained Model of Disordered RNA for Simulations of Biomolecular Condensates
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-26
err0
errOAAI
errYasuda, Ikki; von Bulow, Soren; Tesei, Giulio; Yamamoto, Eiji; Yasuoka, Kenji; Lindorff-Larsen, Kresten
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Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-02
err1
errOAAI
errDoi, Hideo; Nakano, Tatsuya; Sakakura, Kota; Akisawa, Kazuki; Okuwaki, Koji; Hirano, Yoshinori; Yamamoto, Eiji; Yasuoka, Kenji; Ohshima, Satoshi; Katagiri, Takahiro; Mochizuki, Yuji
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High selectivity of CO2 capture with single- and double-walled carbon nanotubes
errENVIRONMENTAL SCIENCE-NANO
IF5.1
err2025-01-01
err0
PREAI
errWinarto, Lilis; Yuliati, Lilis; Purnami, Kenji; Brumby, Paul E.; Yasuoka, Kenji
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Water structures in tip-charged carbon nanotubes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-01
err1
PREAI
errOno, Yui; Yamamoto, Eiji; Yasuoka, Kenji
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In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-05-29
err2
errOAAI
errYasuda, Ikki; Endo, Katsuhiro; Arai, Noriyoshi; Yasuoka, Kenji
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errSave
Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-26
err1
PREAI
errKowaguchi, Akie; Brumby, Paul E.; Yasuoka, Kenji
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errSave
Novel approach for designing order parameters of clathrate hydrate structures by graph neural network
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-13
err3
PREAI
errIshiai, Satoki; Endo, Katsuhiro; Brumby, Paul E.; Sum, Amadeu K.; Yasuoka, Kenji
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errSave
Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-08
err7
PREAI
errIshiai, Satoki; Yasuda, Ikki; Endo, Katsuhiro; Yasuoka, Kenji
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Construction of full-atomistic polymer amorphous structures using reverse-mapping from Kremer-Grest models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-20
err0
PREAI
errNitta, Hiroya; Ozawa, Taku; Yasuoka, Kenji
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Graph neural networks classify molecular geometry and design novel order parameters of crystal and liquid
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-08
err6
PREAI
errIshiai, Satoki; Endo, Katsuhiro; Yasuoka, Kenji
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errSave
Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2023-01-30
err5
PREAI
errYasuda, Ikki; Kobayashi, Yusei; Endo, Katsuhiro; Hayakawa, Yoshihiro; Fujiwara, Kazuhiko; Yajima, Kuniaki; Arai, Noriyoshi; Yasuoka, Kenji
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Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel
errNANOSCALE HORIZONS
IF6.6
err2023-01-01
err4
errOAAI
errArai, Noriyoshi; Yamamoto, Eiji; Koishi, Takahiro; Hirano, Yoshinori; Yasuoka, Kenji; Ebisuzaki, Toshikazu
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Prediction of Water Diffusion in Wide Varieties of Polymers with All- Atom Molecular Dynamics Simulations and Deep Generative Models
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-12-07
err5
PREAI
errKawada, Ryo; Endo, Katsuhiro; Yasuoka, Kenji; Kojima, Hidekazu; Matubayasi, Nobuyuki
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Correlation between ordering and shear thinning in confined OMCTS liquids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-19
err4
errOAAI
errKobayashi, Yusei; Arai, Noriyoshi; Yasuoka, Kenji
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errSave

Research Directions

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Co-authors
Cooperation Journals
A
Aron Walsh
H-index: 126 · Papers: 984
X
Xiao Cheng Zeng
H-index: 118 · Papers: 1.2K
G
Gregg T. Beckham
H-index: 107 · Papers: 552
M
Mark S.P. Sansom
H-index: 105 · Papers: 962
M
Makoto Suematsu
H-index: 94 · Papers: 929
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